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YAMAMOTO Kazuki

■FacultyFaculty Division of Natural Sciences Research Group of Physics
■PositionProfessor
Last Updated :2024/04/15

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Profile and Settings

  • Name (Japanese)

    Yamamoto

  • Name (Kana)

    Kazuki

Degree

  • (BLANK), University of Tsukuba
  • (BLANK), Niigata University

Research Areas

  • Nanotechnology/Materials, Inorganic materials
  • Nanotechnology/Materials, Metallic materials

Research Experience

  • Apr. 2008, Mar. 2012, 奈良女子大学理学部物理科学科 准教授
  • Jul. 1998, Mar. 2008, 奈良女子大学理学部物理科学科 助教授
  • Jan. 1996, Jun. 1998, 奈良女子大学理学部物理科学科 助手
  • Oct. 1994, Dec. 1995, 筑波大学工学研究科 助手
  • Apr. 2021, 9999, 奈良女子大学研究院自然科学系教授
  • Apr. 2012, Mar. 2021, 奈良女子大学研究院自然科学系准教授

Education

  • Mar. 1991, Sep. 1994, University of Tsukuba, Graduate School, Division of Engineering, 物理工学
  • Apr. 1989, Mar. 1991, Niigata University, Graduate School of Science, 物理学専攻
  • Apr. 1985, Mar. 1989, Niigata University, Faculty of Science, Department of Physics

Teaching Experience

  • 2014, 9999
  • 1996, 9999
  • 1996, 9999
  • 1996, 9999
  • 2014, 9999
  • 2014, 9999
  • 1998, 2014
  • 2010, 9999
  • 2010, 9999
  • 2012
  • 2007, 2013
  • 2013
  • 2015, 2020
  • 1999, 2009
  • 1999, 2009
  • 1998, 2011
  • 1996, 1997
  • 2006, 9999
  • 2013, 2015
  • 1999, 2003
  • Oct. 2021, Mar. 2022
  • Apr. 2021, Sep. 2021
  • Sep. 2023, 9999

Association Memberships

  • 日本物理学会
  • 日本結晶学会
  • 日本金属学会

Ⅱ．研究活動実績

Published Papers

  • Refereed, MATERIALS TRANSACTIONS, JAPAN INST METALS, X-ray Study of Phason Strains in an AlCuFeMn Decagonal Phase, Wang Yang; Tomoyo Ando; Kazuki Yamamoto, The peak profiles, shifts, and splittings of Bragg reflections, which are inherent in the phason strain of a quasicrystal, are carefully examined using a precise powder X-ray diffraction method for a wide range of different AlCuFeMn alloys and annealing temperatures. Based on the peak-shift dependences of the Bragg reflections on the phason momentum Q(perpendicular to), two kinds of new approximant phases are identifled. These phases have linear phason strains theta(1) = tau(-6) and theta(2) = tau(-5), and theta(1) = tau(-10) and theta(2) =tau(-5), corresponding to lattice spacings a=3.814 nm and b = 2.005 nm, and a = 9.985 nm and b = 2.005 nm in the quasiperiodic plane of the orthorhombic system, respectively., 2017, 58, 6, 847, 851, 10.2320/matertrans.M2016446
    DOI URL
  • Refereed, ACTA MATERIALIA, PERGAMON-ELSEVIER SCIENCE LTD, X-ray study of the modulated structure in quenched Ga2Te3 with a defect zinc-blende lattice, Yo Otaki; Yuu Yanadori; Yusuke Seki; Kazuki Yamamoto; Shoji Kashida, Ga2Te3 crystallizes into the zinc-blende Structure. where one-third of the cation sites are vacant. Single-crystal X-ray diffraction studies have been performed on quenched Ga2Te3 crystals. The diffraction maps show. apart From the main zinc-blende-type reflections, satellite reflections at q = (0.060.060.00)(c), where the subscript c indicates the cubic sublattice. Analysis of the satellite reflections shows that the incommensurate structure is two-dimensional. The structure is ascribable to the amplitude-type Modulation caused by Ga vacancies and the coupled displacive modulation of Te atoms, which has a polarization vector along the < 001 >(c) direction. The nature of the atomic modulations is also discussed and the origin of the modulation is attributed to Jahn-Teller-type distortions around Ga vacancies. (C) 2008 Acta Materialia Inc. Published by Elsevier Ltd. All rights reserved., Mar. 2009, 57, 5, 1392, 1398, Scientific journal, 10.1016/j.actamat.2008.11.017
    DOI URL
  • Refereed, SCIENCE AND TECHNOLOGY OF ADVANCED MATERIALS, NATL INST MATERIALS SCIENCE, X-ray structural study of the layered compounds CoxNbS2, T Ueno; K Yamamoto; H Matsukura; T Kusawake; K Ohshima, X-ray intensity measurements have been performed on the structure of the layered compound CoxNbS2 single crystals (x <= 0.5) at room temperature. The c-axis lattice parameter changes discontinuously at around x=0.2 and remains constant with further increase of the Co content. For the lower content of Co atoms (x < 0.2), no diffuse maxima appeared on the (hk0) and (hk1) reciprocal lattice planes. At x=0.23, the diffuse maxima are clearly seen at 4/3, 4/3, 1 and 5/3, 5/3, 1 reciprocal lattice points. At -Y=0.32, sharp intensity maxima appear at 4/3, 4/3, 0 and 5/3, 5/3, 0 in addition to at 4/3, 4/3, 1 and 5/3, 5/3, 1. It is understood that root 3 X root(3R0 degrees) ordered structure exists at the stoichiometric composition of x=1/3. At further increasing the Co content, the intensity at 4/3, 4/3, 0 and 5/3, 5/3, 0 is weakening and disappears above x = 0.4. The structural model based on the space group P6(3)22 (No. 182) for CoxNbS2 (x > 0.4) is discussed with considering both the position of the Co atoms and their occupation rate. (c) 2005 Elsevier Ltd. All rights reserved., Sep. 2005, 6, 6, 684, 688, Scientific journal, 10.1016/j.stam.2005.05.007
    DOI URL
  • Refereed, MATERIALS TRANSACTIONS, JAPAN INST METALS, Synchrotron X-ray studies of phason and phonon strains in a Co-rich Al-Ni-Co decagonal quasicrystal, K Yamamoto; W Yang; Y Nishimura; N Ikeda; Y Matsuo, Peak broadening and peak shifts of Bragg reflections were studied with the synchrotron single-crystal X-ray diffraction method for an Al72.7Ni8.5Co18.8 decagonal quasicrystal classified as the 5f state. From the Q(perpendicular to) and Q(parallel to) dependences of the full width of half maximum (FWHM) of the Bragg reflections along the longitudinal direction, the coexistence of random phason strains with phonon strains was observed. High-resolution synchrotron X-ray measurements Could present quantitative estimations of these strains. The value of the random phason strain component is 0.0054 similar to tau(-11). The asymmetrical broadening due to the phonon strain shows that the single crystal may be constructed with two kinds of grains that have A(5D) values of 0.6273 and 0.6265 nm., Apr. 2004, 45, 4, 1255, 1260, Scientific journal
  • Refereed, JOURNAL OF ALLOYS AND COMPOUNDS, ELSEVIER SCIENCE SA, The successive phase transformation in a Co-rich Al-Ni-Co decagonal phase, K Yamamoto; W Yang; Y Nishimura; Y Matsuo, Peak broadening and the peak positions of Bragg reflections were studied with the high-resolution X-ray diffraction method for decagonal Al72.7Ni8.5Co18.8 quasicrystals. From the Q(perpendicular to) dependences of the full-width at half-maximum (FWHM) of the Bragg reflections and the peak shifts from ideal Bragg peak positions along the longitudinal direction, these decagonal quasicrystals were classified into three groups with different phason strains. These three group, were identified as the random phason strain, the one-dimensional linear phason strain and the two-dimensional linear phason strain, respectively. This means that the Al72.7Ni8.5Co18.8 decagonal phase undergoes a successive phase transformation from a decagonal quasicrystal through a one-dimensional quasicrystal to an approximant crystal. (C) 2002 Elsevier Science B.V. All rights reserved., Aug. 2002, 342, 1-2, 237, 240, Scientific journal
  • Refereed, MATERIALS TRANSACTIONS, JAPAN INST METALS, Growth condition and X-ray analysis of single Al64Cu23Fe13 icosahedral quasicrystal by the Czochralski method, Y Yokoyama; Y Matsuo; K Yamamoto; K Hiraga, Growth conditions for the preparation of a single Al64Cu23Fe13 icosahedral (I-) quasicrystal with excellent quasicrystallinity were examined using the Czochralski method. The appreciation of the quasicrystallinity of the grown single quasicrystal was performed by X-ray structural analysis. The full widths at half-maximum (FWHNI) of the Bragg reflections along 2-, 3- and 5-told symmetry directions have no Q(h) and Q(perpendicular to) dependence. Where the Q(i) and Q(perpendicular to) mean the phason momentum and real scattering vector. Furthermore. peak shifts from ideal Bragg positions were not observed. These means that the grown Al64Cu23Fe13 quasicrystal by the Czochralski method has perfect I-phase structure., Apr. 2002, 43, 4, 762, 765, Scientific journal
  • Refereed, MATERIALS TRANSACTIONS, JAPAN INST METALS, Relationship between phason strain and approximant crystal structure in Co-rich Al-Ni-Co decagonal phase, Y Matsuo; Y Nishimura; K Yamamoto; Y Ishii, Peak broadening and the peak positions of the Bragg reflections were studied with the high-resolution X-ray diffraction method for the decagonal Al72.7Ni8.5Co18.8 quasicrystal. The full-widths at half-maximum (FWHM) of the Bragg reflections along the longitudinal direction (L), which is perpendicular to the periodic axis, have no Q(parallel to) or Q(perpendicular to) dependences. On the other hand, notable peak shifts from ideal Bragg peak positions with linear Q, dependence were observed. This means that the Al72.7Ni8.5Co18.8 decagonal phase has linear phason strains. According to the absolute values of the linear phason strains, the transformation from the decagonal phase to an approximant crystal is discussed., Sep. 2001, 42, 9, 2008, 2012, Scientific journal
  • Refereed, PHILOSOPHICAL MAGAZINE A-PHYSICS OF CONDENSED MATTER STRUCTURE DEFECTS AND MECHANICAL PROPERTIES, TAYLOR & FRANCIS LTD, X-ray diffraction study of a phason strain in an Al-Cu-Fe icosahedral quasicrystal, M Jono; Y Matsuo; K Yamamoto; Y Ishii, Detailed examinations of the peak profiles and the positions of the Bragg peaks are carried out with the X-ray diffractometer for single-grain samples of the Al-Cu-Fe icosahedral quasicrystal. Notable peak shifts from the ideal positions with linear Q(perpendicular to) dependence are observed along the fivefold directions. This means that the sample contains linear phason strain. The amplitude of the linear phason strain is estimated as -0.0543, which is close to a theoretical value for the phason-strain-inducing transformation from the icosahedral phase to the pentagonal phase (P2 phase), -1/tau (6). The two-dimensional intensity distributions around the Bragg peaks on the twofold, threefold and fivefold axes are interpreted as consequences of the phason-strain-inducing pentagonal deformation., Nov. 2001, 81, 11, 2577, 2590, Scientific journal
  • Refereed, JOURNAL OF PHYSICS-CONDENSED MATTER, IOP PUBLISHING LTD, X-ray study of the electron density distribution for Al6Mn, K Yamamoto; Y Matsuo, The electron density distribution of Al6Mn has been studied by a single-crystal x-ray diffraction method. The maximum-entropy method (MEM) is used to construct the electron density distribution (EDD). In the EDD maps, strong covalent bonds between Al atoms and Mn atoms are visible. The number of electrons belonging to each atom and the charge transfer from AI atoms to an Mn atom have been derived from the EDD maps. The negative valence was estimated to be -1.46 for an Mn atom. This negative valence can be understood to be the charge transfer due to the covalent bond with a strong ionic character. These results were compared with pair-potential calculations and band-structure calculations., Mar. 2000, 12, 11, 2359, 2365, Scientific journal
  • Refereed, JOURNAL OF PHYSICS-CONDENSED MATTER, IOP PUBLISHING LTD, X-ray study of the electron density distributions for hexagonal Al5Co2 and Al10Mn3, K Yamamoto; M Jono; Y Matsuo, The electron density distributions of Al5Co2 and Al10Mn3, which include icosahedral clusters, have been studied by a single-crystal x-ray diffraction method. The maximum-entropy method (MEM) is used to construct the electron density distribution (EDD). In the EDD maps, strongly covalent bonds between Al atoms and transition metal (TM) atoms are visible. As regards the chemical bonding, Al10Mn3 has an icosahedral bonding environment, whereas Al5Co2 does not. The number of electrons belonging to each atom and the charge transfer from Al atoms to TM atoms have been derived from the EDD maps. The negative valences were estimated to be -1.25 and -1.26 for Co atoms and -1.00 for a Mn atom. These negative valences can be understood to be the charge transfer due to the covalent bond with strongly ionic character. These results were compared with pair-potential calculations and band-structure calculations., Feb. 1999, 11, 4, 1015, 1026, Scientific journal
  • Refereed, MATERIALS TRANSACTIONS JIM, JAPAN INST METALS, X-ray diffraction study of the decagonal Al70Ni10Co20, Y Matsuo; N Sugiyama; K Yamamoto, A decagonal Al70Ni10Co20 single quasicrystal was studied with high-resolution X-ray diffraction. Full-widths at half-maximum (FWHM) of Bragg reflections along the longitudinal direction (L) monotonically increase with increasing of Q(perpendicular to). This result suggests that the Al70Ni10Co20 decagonal phase has random phason strain. On the other hand, FWHM for both transverse directions T1 and T2, which are perpendicular to the L-direction in an aperiodic plane (T1) and along a periodic direction (T2), have linear Q(parallel to) dependence. So the single crystal has some distortion of mosaics. Notable peak shifts from ideal Bragg peak positions were not observed., Feb. 1999, 40, 2, 137, 140, Scientific journal
  • Refereed, JOURNAL OF PHYSICS-CONDENSED MATTER, IOP PUBLISHING LTD, Investigation of phason strains in decagonal Al-Pd-Mn single quasicrystals by means of x-ray diffraction, Y Matsuo; K Yamamoto; Y Ishii, A careful examination of the peak profiles, peak shifts and peak separations of Bragg reflections, which are inherent in the disordering of quasicrystal, is carried out using an x-ray diffraction method for decagonal Al-Pd-Mn single quasicrystals. The full widths at half-maximum (FWHM) of the Bragg reflections along the longitudinal direction (L) have no Q(parallel to)- or Q(perpendicular to)-dependence whereas those for both transverse directions, which are perpendicular to the L direction in an aperiodic plane and with a periodic axis, have linear Q(parallel to)-dependence. Notable peak shifts and separations of Bragg reflections are observed. The absolute values of the shifts are found to be proportional to Q(perpendicular to). The peak shifts and separations are analysed in terms of linear phason strains., Feb. 1998, 10, 5, 983, 994, Scientific journal
  • Refereed, Proceedings of the 6th International Conference on Quasicrystals, X-ray Diffuse Scattering in the Al-Pd-Mn Decagonal Quasicrystal, YAMAMOTO Kazuki; K Yamamoto; Y Matsuo; M Ota, 1998, 403
  • Refereed, JAPANESE JOURNAL OF APPLIED PHYSICS PART 2-LETTERS, JAPAN J APPLIED PHYSICS, X-ray fluorescence analysis of rare-earth atoms in materials by use of ultrashort wavelength X-rays, Y Takahashi; K Yamamoto; K Ohshima; K Yukino; FP Okamura, A new technique of X-ray fluorescence analysis using ultrashort-wavelength X-rays was tested to obtain the K-series of spectra for rare-earth elements in two different kinds of materials, i.e. powder samples of rare-earth oxides and single crystals of rare-earth hexaborides. This technique utilizes a solid-state detector and multichannel pulse-height analyzer, and satisfies the requirements for quantitative identification in samples containing heavy elements. This technique was applied to determine the composition of the mixed compound La1-xCexB6 (z = 0.25, 0.50 and 0.75). There is good agreement, within the limits of experimental error, between the values thus obtained and the nominal values., May 1998, 37, 5A, L556, L558, Scientific journal
  • Refereed, JOURNAL OF MAGNETISM AND MAGNETIC MATERIALS, ELSEVIER SCIENCE BV, An observation of localized 3d electron density distribution of Fe3O4, Y Kino; FP Okamura; K Yamamoto; K Siratori, Measurement of X-ray diffraction data using WK alpha (lambda = 0.20889 Angstrom) radiation was carried out on Fe3O4 at room temperature. Data were analyzed using the maximum entropy method (MEM). The electron density distribution of the (1 0 0) and (1 1 0) planes of Fe3O4 are examined in detail. Electron density associated with a covalent bond between oxygen and Fe3+ ions could be observed at the tetrahedral sites. Furthermore, after subtraction of the core electrons sharp peaks were clearly observed, corresponding to d gamma and d epsilon energy states of the d-orbital of the Fe ions. (C) 1998 Elsevier Science B.V. All rights reserved., Jan. 1998, 177, 1, 243, 244, Scientific journal
  • Refereed, JOURNAL OF APPLIED CRYSTALLOGRAPHY, MUNKSGAARD INT PUBL LTD, On the estimation of the termination effect in Fourier synthesis in X-ray structure analysis, Y Takahashi; K Ohshima; K Yamamoto; K Yukino; FP Okamura, An accurate structure analysis of a spherical LaB6 single crystal has been performed with the use of short-wavelength X-rays (W K alpha(1)) in order to estimate the termination effect in Fourier synthesis on the electron-density distribution (EDD). It is concluded that the effect on the EDD is negligible if data are taken up to sin theta/lambda = 2.0 Angstrom(-1), because the negative values disappear completely from the map. The values of displacement parameters of the constituent atoms in LaB6 are also discussed., Dec. 1998, 31, 917, 921, Scientific journal
  • Refereed, PHILOSOPHICAL MAGAZINE LETTERS, TAYLOR & FRANCIS LTD, Structure of a new orthorhombic crystalline phase in the Al-Cr-Pd alloy system, Y Matsuo; K Yamamoto; Y Iko, During a study of decagonal quasicrystals and approximant crystals in the Al-Cr-Pd alloy system, a new crystalline phase has been found in an alloy with the composition Al-75(CT, Pd)(25). The crystal structure has been determined by a single-crystal X-ray analysis. This phase has an orthorhombic structure with lattice parameters a = 1.484 nm, b = 1.262 nm and c = 1.272 nm, and the space group is Pnma (No. 62). The atomic model was determined by the least-squares refinement to a final R value of 0.065 for 2418 unique reflections. The atomic arrangement of this phase is considered to be isostructural with Al3Mn and closely related to the structure of the O-phase (proposed by Sun, Yubuta and Hiraga in 1995) and Al-Pd-Mn decagonal quasicrystal. Structural relationships between the Al-75(Cr, Pd)(25) phase, the O-phase, Al3Mn and the Al-Pd-Mn decagonal quasicrystal are discussed., Mar. 1997, 75, 3, 137, 142, Scientific journal
  • Refereed, JOURNAL OF PHYSICS-CONDENSED MATTER, IOP PUBLISHING LTD, Determination of the chiral structure of CsCuCl3 using anomalous x-ray scattering near the Cs K absorption edge, T Koiso; K Yamamoto; Y Hata; Y Takahashi; E Kita; K Ohshima; FP Okamura, A structural study of CsCuCl3, grown from aqueous solution, was performed using anomalous x-ray scattering near the Cs K absorption edge to determine an absolute configuration of constituent atoms. The sense of the helical structure of the CuCl3 chain was found to be predominantly right-handed through a comparison of observed Bragg Bijvoet ratios with calculated ones. Assuming that CsCuCl3 consists of the two domains (i.e. right- and left-handed helices), we estimate that the volume fraction for the right-handed helix is 0.87 +/- 0.02., Sep. 1996, 8, 38, 7059, 7065, Scientific journal
  • Refereed, ACTA CRYSTALLOGRAPHICA SECTION A, MUNKSGAARD INT PUBL LTD, MEM analysis of electron-density distributions for silicon and diamond using short-wavelength X-rays (W K alpha(1)), K Yamamoto; Y Takahashi; K Ohshima; FP Okamura; K Yukino, Short-wavelength X-rays (W K alpha(1): lambda = 0.209 Angstrom) have been used to collect higher-order reflections for studies of the electron-density distributions of silicon and diamond with high resolution. The sp(3) bonding electron-density distributions of these materials are visible in the total electron-density maps synthesized by the maximum-entropy method (MEM) and also in the difference MEM maps synthesized by Fourier summation of F-mem(h) - F-core(h), where F-mem(h) is the structure factor calculated from the MEM map and F-core(h) is the structure factor calculated from Si-core and C-core models, if very extensive data sets with higher-order reflections are used. These maps are more informative than the conventional difference Fourier map synthesized by Fourier summation of F-obs(h) - F-core(h) using the observed structure factor F-obs(h) instead of F-mem(h). The present maps can be compared with certain band-theory calculations., Jul. 1996, 52, 4, 606, 613, Scientific journal
  • Refereed, JOURNAL OF APPLIED CRYSTALLOGRAPHY, MUNKSGAARD INT PUBL LTD, A new technique for making spheres of single crystals, Y Takahashi; K Yamamoto; K Ohshima; K Yukino; FP Okamura, A new technique for making spheres of single crystals is briefly described. It is confirmed that this method is very effective when used to prepare spherical specimens of LaB6, a refractory material that is widely used as a thermo-radiated material., Apr. 1996, 29, 1, 206, 207, Scientific journal
  • Refereed, JOURNAL OF PHYSICS-CONDENSED MATTER, IOP PUBLISHING LTD, X-RAY-DIFFRACTION STUDY OF LATTICE-PARAMETERS FOR LAYERED COMPOUNDS M(X)TAS(2) (M=TL OR IN), T TAKEDA; S YOKOZEKI; K YAMAMOTO; K OHSHIMA, The composition dependence of lattice parameters for layered compounds M(x)TaS(2) (M = Tl or In, 0 < x < 0.6) has been determined by an x-ray diffraction method, in order to discuss the structural characteristics. Stage-2 and stage-1 phases for both compounds exist. A drastic change in the c-axis layer spacing was found for stage-1 Tl0.465TaS2, although there was no such anomaly in the composition dependence of the c-axis lattice parameter for InxTaS2., Jun. 1995, 7, 24, 4625, 4628, Scientific journal
  • Refereed, SOLID STATE IONICS, ELSEVIER SCIENCE BV, X-RAY STUDY OF THE CATION DISTRIBUTION IN CU2SE, CU1.8SE AND CU1.8S - ANALYSIS BY THE MAXIMUM-ENTROPY METHOD, K YAMAMOTO; S KASHIDA, The structures of fast ion conductors Cu2Se, Cu1.8Se and Cu1.8S have been studied with the use of single crystal X-ray diffraction data. The compounds have cubic antifluorite structures, copper ions and distributed to the tetrahedral, trigonal and octahedral interstitials of the chalcogen atoms. In the refinement of the structures, the maximum entropy method (MEM) is used to construct the density map of the copper ions. The distribution of the copper ions is studied as a function of temperature. The diffusion path of the mobile copper ions is also discussed. The present method, MEM is found to have several advantages over the previous methods, such as the split atom, the anharmonic and the excluded volume models., Nov. 1991, 48, 3-4, 241, 248, Scientific journal
  • Refereed, JOURNAL OF SOLID STATE CHEMISTRY, ACADEMIC PRESS INC JNL-COMP SUBSCRIPTIONS, X-RAY STUDY OF THE AVERAGE STRUCTURES OF CU2SE AND CU1.8S IN THE ROOM-TEMPERATURE AND THE HIGH-TEMPERATURE PHASES, K YAMAMOTO; S KASHIDA, Jul. 1991, 93, 1, 202, 211, Scientific journal
  • Refereed, JOURNAL OF PHYSICS-CONDENSED MATTER, IOP PUBLISHING LTD, AN X-RAY STUDY OF THE INCOMMENSURATE STRUCTURE IN DIGENITE (CU1.8S), S KASHIDA; K YAMAMOTO, The structure of a non-stoichiometric copper compound Cu1.8S (digenite) has been studied by x-ray diffraction. Although digenite has a cubic anti-fluorite structure, satellite reflections were seen along the <111>c axis. Single-crystal x-ray diffraction data, including first- and second-order satellites, were collected using a four-circle diffractometer. A rhombohedral twinning model was used to determine the modulation densities of the copper ions. The final R-factor is about 10% including the main and satellite reflections. The present analysis shows that the crystal is composed of domain-like structures: in each domain, the dimensions of the regular lattice, formed from copper ions, are slightly larger than those of the basic sulphur lattice. The origin of this domain-like structure, based on the Frenkel-Kontorova model, is attributed to the non-stoichiometry and apparently smaller cation-anion interaction., Aug. 1991, 3, 34, 6559, 6570, Scientific journal
  • Refereed, JOURNAL OF SOLID STATE CHEMISTRY, ACADEMIC PRESS INC JNL-COMP SUBSCRIPTIONS, STRUCTURAL PHASE-TRANSITION IN KHCO3, S KASHIDA; K YAMAMOTO, Jun. 1990, 86, 2, 180, 187, Scientific journal

MISC

  • Not Refereed, MATERIALS TRANSACTIONS, JAPAN INST METALS, X-ray Study of Phason Strains in an AlCuFeMn Decagonal Phase, Wang Yang; Tomoyo Ando; Kazuki Yamamoto, The peak profiles, shifts, and splittings of Bragg reflections, which are inherent in the phason strain of a quasicrystal, are carefully examined using a precise powder X-ray diffraction method for a wide range of different AlCuFeMn alloys and annealing temperatures. Based on the peak-shift dependences of the Bragg reflections on the phason momentum Q(perpendicular to), two kinds of new approximant phases are identifled. These phases have linear phason strains theta(1) = tau(-6) and theta(2) = tau(-5), and theta(1) = tau(-10) and theta(2) =tau(-5), corresponding to lattice spacings a=3.814 nm and b = 2.005 nm, and a = 9.985 nm and b = 2.005 nm in the quasiperiodic plane of the orthorhombic system, respectively., 2017, 58, 6, 847, 851, Book review, 10.2320/matertrans.M2016446
    DOI URL
  • Not Refereed, MATERIALS TRANSACTIONS, JAPAN INST METALS, X-ray Study of Phason Strains in an AlCuFeMn Decagonal Phase, Wang Yang; Tomoyo Ando; Kazuki Yamamoto, The peak profiles, shifts, and splittings of Bragg reflections, which are inherent in the phason strain of a quasicrystal, are carefully examined using a precise powder X-ray diffraction method for a wide range of different AlCuFeMn alloys and annealing temperatures. Based on the peak-shift dependences of the Bragg reflections on the phason momentum Q(perpendicular to), two kinds of new approximant phases are identifled. These phases have linear phason strains theta(1) = tau(-6) and theta(2) = tau(-5), and theta(1) = tau(-10) and theta(2) =tau(-5), corresponding to lattice spacings a=3.814 nm and b = 2.005 nm, and a = 9.985 nm and b = 2.005 nm in the quasiperiodic plane of the orthorhombic system, respectively., 2017, 58, 6, 847, 851, Book review, 10.2320/matertrans.M2016446
    DOI URL
  • Not Refereed, SCIENCE AND TECHNOLOGY OF ADVANCED MATERIALS, NATL INST MATERIALS SCIENCE, X-ray structural study of the layered compounds CoxNbS2, T Ueno; K Yamamoto; H Matsukura; T Kusawake; K Ohshima, X-ray intensity measurements have been performed on the structure of the layered compound CoxNbS2 single crystals (x <= 0.5) at room temperature. The c-axis lattice parameter changes discontinuously at around x=0.2 and remains constant with further increase of the Co content. For the lower content of Co atoms (x < 0.2), no diffuse maxima appeared on the (hk0) and (hk1) reciprocal lattice planes. At x=0.23, the diffuse maxima are clearly seen at 4/3, 4/3, 1 and 5/3, 5/3, 1 reciprocal lattice points. At -Y=0.32, sharp intensity maxima appear at 4/3, 4/3, 0 and 5/3, 5/3, 0 in addition to at 4/3, 4/3, 1 and 5/3, 5/3, 1. It is understood that root 3 X root(3R0 degrees) ordered structure exists at the stoichiometric composition of x=1/3. At further increasing the Co content, the intensity at 4/3, 4/3, 0 and 5/3, 5/3, 0 is weakening and disappears above x = 0.4. The structural model based on the space group P6(3)22 (No. 182) for CoxNbS2 (x > 0.4) is discussed with considering both the position of the Co atoms and their occupation rate. (c) 2005 Elsevier Ltd. All rights reserved., Sep. 2005, 6, 6, 684, 688, 10.1016/j.stam.2005.05.007
    DOI URL
  • Not Refereed, SCIENCE AND TECHNOLOGY OF ADVANCED MATERIALS, NATL INST MATERIALS SCIENCE, X-ray structural study of the layered compounds CoxNbS2, T Ueno; K Yamamoto; H Matsukura; T Kusawake; K Ohshima, X-ray intensity measurements have been performed on the structure of the layered compound CoxNbS2 single crystals (x <= 0.5) at room temperature. The c-axis lattice parameter changes discontinuously at around x=0.2 and remains constant with further increase of the Co content. For the lower content of Co atoms (x < 0.2), no diffuse maxima appeared on the (hk0) and (hk1) reciprocal lattice planes. At x=0.23, the diffuse maxima are clearly seen at 4/3, 4/3, 1 and 5/3, 5/3, 1 reciprocal lattice points. At -Y=0.32, sharp intensity maxima appear at 4/3, 4/3, 0 and 5/3, 5/3, 0 in addition to at 4/3, 4/3, 1 and 5/3, 5/3, 1. It is understood that root 3 X root(3R0 degrees) ordered structure exists at the stoichiometric composition of x=1/3. At further increasing the Co content, the intensity at 4/3, 4/3, 0 and 5/3, 5/3, 0 is weakening and disappears above x = 0.4. The structural model based on the space group P6(3)22 (No. 182) for CoxNbS2 (x > 0.4) is discussed with considering both the position of the Co atoms and their occupation rate. (c) 2005 Elsevier Ltd. All rights reserved., Sep. 2005, 6, 6, 684, 688, 10.1016/j.stam.2005.05.007
    DOI URL
  • Not Refereed, MATERIALS TRANSACTIONS, JAPAN INST METALS, Synchrotron X-ray studies of phason and phonon strains in a Co-rich Al-Ni-Co decagonal quasicrystal, K Yamamoto; W Yang; Y Nishimura; N Ikeda; Y Matsuo, Peak broadening and peak shifts of Bragg reflections were studied with the synchrotron single-crystal X-ray diffraction method for an Al72.7Ni8.5Co18.8 decagonal quasicrystal classified as the 5f state. From the Q(perpendicular to) and Q(parallel to) dependences of the full width of half maximum (FWHM) of the Bragg reflections along the longitudinal direction, the coexistence of random phason strains with phonon strains was observed. High-resolution synchrotron X-ray measurements Could present quantitative estimations of these strains. The value of the random phason strain component is 0.0054 similar to tau(-11). The asymmetrical broadening due to the phonon strain shows that the single crystal may be constructed with two kinds of grains that have A(5D) values of 0.6273 and 0.6265 nm., Apr. 2004, 45, 4, 1255, 1260, 10.2320/matertrans.45.1255
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  • Not Refereed, MATERIALS TRANSACTIONS, JAPAN INST METALS, Synchrotron X-ray studies of phason and phonon strains in a Co-rich Al-Ni-Co decagonal quasicrystal, K Yamamoto; W Yang; Y Nishimura; N Ikeda; Y Matsuo, Peak broadening and peak shifts of Bragg reflections were studied with the synchrotron single-crystal X-ray diffraction method for an Al72.7Ni8.5Co18.8 decagonal quasicrystal classified as the 5f state. From the Q(perpendicular to) and Q(parallel to) dependences of the full width of half maximum (FWHM) of the Bragg reflections along the longitudinal direction, the coexistence of random phason strains with phonon strains was observed. High-resolution synchrotron X-ray measurements Could present quantitative estimations of these strains. The value of the random phason strain component is 0.0054 similar to tau(-11). The asymmetrical broadening due to the phonon strain shows that the single crystal may be constructed with two kinds of grains that have A(5D) values of 0.6273 and 0.6265 nm., Apr. 2004, 45, 4, 1255, 1260, 10.2320/matertrans.45.1255
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  • Not Refereed, JOURNAL OF ALLOYS AND COMPOUNDS, ELSEVIER SCIENCE SA, The successive phase transformation in a Co-rich Al-Ni-Co decagonal phase, K Yamamoto; W Yang; Y Nishimura; Y Matsuo, Peak broadening and the peak positions of Bragg reflections were studied with the high-resolution X-ray diffraction method for decagonal Al72.7Ni8.5Co18.8 quasicrystals. From the Q(perpendicular to) dependences of the full-width at half-maximum (FWHM) of the Bragg reflections and the peak shifts from ideal Bragg peak positions along the longitudinal direction, these decagonal quasicrystals were classified into three groups with different phason strains. These three group, were identified as the random phason strain, the one-dimensional linear phason strain and the two-dimensional linear phason strain, respectively. This means that the Al72.7Ni8.5Co18.8 decagonal phase undergoes a successive phase transformation from a decagonal quasicrystal through a one-dimensional quasicrystal to an approximant crystal. (C) 2002 Elsevier Science B.V. All rights reserved., Aug. 2002, 342, 1-2, 237, 240, 10.1016/S0925-8388(02)00183-4
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  • Not Refereed, JOURNAL OF ALLOYS AND COMPOUNDS, ELSEVIER SCIENCE SA, The successive phase transformation in a Co-rich Al-Ni-Co decagonal phase, K Yamamoto; W Yang; Y Nishimura; Y Matsuo, Peak broadening and the peak positions of Bragg reflections were studied with the high-resolution X-ray diffraction method for decagonal Al72.7Ni8.5Co18.8 quasicrystals. From the Q(perpendicular to) dependences of the full-width at half-maximum (FWHM) of the Bragg reflections and the peak shifts from ideal Bragg peak positions along the longitudinal direction, these decagonal quasicrystals were classified into three groups with different phason strains. These three group, were identified as the random phason strain, the one-dimensional linear phason strain and the two-dimensional linear phason strain, respectively. This means that the Al72.7Ni8.5Co18.8 decagonal phase undergoes a successive phase transformation from a decagonal quasicrystal through a one-dimensional quasicrystal to an approximant crystal. (C) 2002 Elsevier Science B.V. All rights reserved., Aug. 2002, 342, 1-2, 237, 240, 10.1016/S0925-8388(02)00183-4
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  • Not Refereed, Materials Transactions, Japan Institute of Metals (JIM), Growth condition and x-ray analysis of single Al64Cu23Fe13 icosahedral quasicrystal by the Czochralski method, Yoshihiko Yokoyama; Yoshie Matsuo; Kazuki Yamamoto; Kenji Hiraga, Growth conditions for the preparation of a single Al64Cu23Fe13 icosahedral (I-) quasicrystal with excellent quasicrystallinity were examined using the Czochralski method. The appreciation of the quasicrystallinity of the grown single quasicrystal was performed by X-ray structural analysis. The full widths at half-maximum (FWHM) of the Bragg reflections along 2-, 3- and 5-fold symmetry directions have no Q∥ and Q⊥ dependence. Where the Q∥ and Q⊥ mean the phason momentum and real scattering vector. Furthermore, peak shifts from ideal Bragg positions were not observed. These means that the grown Al64Cu23Fe13 quasicrystal by the Czochralski method has perfect I-phase structure., 2002, 43, 4, 762, 765, 10.2320/matertrans.43.762
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  • Not Refereed, Materials Transactions, Japan Institute of Metals (JIM), Growth condition and x-ray analysis of single Al64Cu23Fe13 icosahedral quasicrystal by the Czochralski method, Yoshihiko Yokoyama; Yoshie Matsuo; Kazuki Yamamoto; Kenji Hiraga, Growth conditions for the preparation of a single Al64Cu23Fe13 icosahedral (I-) quasicrystal with excellent quasicrystallinity were examined using the Czochralski method. The appreciation of the quasicrystallinity of the grown single quasicrystal was performed by X-ray structural analysis. The full widths at half-maximum (FWHM) of the Bragg reflections along 2-, 3- and 5-fold symmetry directions have no Q∥ and Q⊥ dependence. Where the Q∥ and Q⊥ mean the phason momentum and real scattering vector. Furthermore, peak shifts from ideal Bragg positions were not observed. These means that the grown Al64Cu23Fe13 quasicrystal by the Czochralski method has perfect I-phase structure., 2002, 43, 4, 762, 765, 10.2320/matertrans.43.762
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  • Not Refereed, PHILOSOPHICAL MAGAZINE A-PHYSICS OF CONDENSED MATTER STRUCTURE DEFECTS AND MECHANICAL PROPERTIES, TAYLOR & FRANCIS LTD, X-ray diffraction study of a phason strain in an Al-Cu-Fe icosahedral quasicrystal, M Jono; Y Matsuo; K Yamamoto; Y Ishii, Detailed examinations of the peak profiles and the positions of the Bragg peaks are carried out with the X-ray diffractometer for single-grain samples of the Al-Cu-Fe icosahedral quasicrystal. Notable peak shifts from the ideal positions with linear Q(perpendicular to) dependence are observed along the fivefold directions. This means that the sample contains linear phason strain. The amplitude of the linear phason strain is estimated as -0.0543, which is close to a theoretical value for the phason-strain-inducing transformation from the icosahedral phase to the pentagonal phase (P2 phase), -1/tau (6). The two-dimensional intensity distributions around the Bragg peaks on the twofold, threefold and fivefold axes are interpreted as consequences of the phason-strain-inducing pentagonal deformation., Nov. 2001, 81, 11, 2577, 2590, 10.1080/01418610110043118
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  • Not Refereed, PHILOSOPHICAL MAGAZINE A-PHYSICS OF CONDENSED MATTER STRUCTURE DEFECTS AND MECHANICAL PROPERTIES, TAYLOR & FRANCIS LTD, X-ray diffraction study of a phason strain in an Al-Cu-Fe icosahedral quasicrystal, M Jono; Y Matsuo; K Yamamoto; Y Ishii, Detailed examinations of the peak profiles and the positions of the Bragg peaks are carried out with the X-ray diffractometer for single-grain samples of the Al-Cu-Fe icosahedral quasicrystal. Notable peak shifts from the ideal positions with linear Q(perpendicular to) dependence are observed along the fivefold directions. This means that the sample contains linear phason strain. The amplitude of the linear phason strain is estimated as -0.0543, which is close to a theoretical value for the phason-strain-inducing transformation from the icosahedral phase to the pentagonal phase (P2 phase), -1/tau (6). The two-dimensional intensity distributions around the Bragg peaks on the twofold, threefold and fivefold axes are interpreted as consequences of the phason-strain-inducing pentagonal deformation., Nov. 2001, 81, 11, 2577, 2590, 10.1080/01418610110043118
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  • Not Refereed, MATERIALS TRANSACTIONS, JAPAN INST METALS, Relationship between phason strain and approximant crystal structure in Co-rich Al-Ni-Co decagonal phase, Y Matsuo; Y Nishimura; K Yamamoto; Y Ishii, Peak broadening and the peak positions of the Bragg reflections were studied with the high-resolution X-ray diffraction method for the decagonal Al72.7Ni8.5Co18.8 quasicrystal. The full-widths at half-maximum (FWHM) of the Bragg reflections along the longitudinal direction (L), which is perpendicular to the periodic axis, have no Q(parallel to) or Q(perpendicular to) dependences. On the other hand, notable peak shifts from ideal Bragg peak positions with linear Q, dependence were observed. This means that the Al72.7Ni8.5Co18.8 decagonal phase has linear phason strains. According to the absolute values of the linear phason strains, the transformation from the decagonal phase to an approximant crystal is discussed., Sep. 2001, 42, 9, 2008, 2012, 10.2320/matertrans.42.2008
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  • Not Refereed, MATERIALS TRANSACTIONS, JAPAN INST METALS, Relationship between phason strain and approximant crystal structure in Co-rich Al-Ni-Co decagonal phase, Y Matsuo; Y Nishimura; K Yamamoto; Y Ishii, Peak broadening and the peak positions of the Bragg reflections were studied with the high-resolution X-ray diffraction method for the decagonal Al72.7Ni8.5Co18.8 quasicrystal. The full-widths at half-maximum (FWHM) of the Bragg reflections along the longitudinal direction (L), which is perpendicular to the periodic axis, have no Q(parallel to) or Q(perpendicular to) dependences. On the other hand, notable peak shifts from ideal Bragg peak positions with linear Q, dependence were observed. This means that the Al72.7Ni8.5Co18.8 decagonal phase has linear phason strains. According to the absolute values of the linear phason strains, the transformation from the decagonal phase to an approximant crystal is discussed., Sep. 2001, 42, 9, 2008, 2012, 10.2320/matertrans.42.2008
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  • Not Refereed, Journal of Physics : Condensed Matter, X-ray study of the electron density distribution in Al6Mn, 山本 一樹; K Yamamoto; Y Matsuo, 2000, 12, 2359, 2365, 10.1088/0953-8984/12/11/302
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  • Not Refereed, Journal of Physics : Condensed Matter, X-ray study of the electron density distribution in Al6Mn, YAMAMOTO Kazuki; K Yamamoto; Y Matsuo, 2000, 12, 2359, 2365, 10.1088/0953-8984/12/11/302
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  • Not Refereed, MATERIALS TRANSACTIONS JIM, JAPAN INST METALS, X-ray diffraction study of the decagonal Al70Ni10Co20, Y Matsuo; N Sugiyama; K Yamamoto, A decagonal Al70Ni10Co20 single quasicrystal was studied with high-resolution X-ray diffraction. Full-widths at half-maximum (FWHM) of Bragg reflections along the longitudinal direction (L) monotonically increase with increasing of Q(perpendicular to). This result suggests that the Al70Ni10Co20 decagonal phase has random phason strain. On the other hand, FWHM for both transverse directions T1 and T2, which are perpendicular to the L-direction in an aperiodic plane (T1) and along a periodic direction (T2), have linear Q(parallel to) dependence. So the single crystal has some distortion of mosaics. Notable peak shifts from ideal Bragg peak positions were not observed., Feb. 1999, 40, 2, 137, 140, 10.2320/matertrans1989.40.137
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  • Not Refereed, JOURNAL OF PHYSICS-CONDENSED MATTER, IOP PUBLISHING LTD, X-ray study of the electron density distributions for hexagonal Al5Co2 and Al10Mn3, K Yamamoto; M Jono; Y Matsuo, The electron density distributions of Al5Co2 and Al10Mn3, which include icosahedral clusters, have been studied by a single-crystal x-ray diffraction method. The maximum-entropy method (MEM) is used to construct the electron density distribution (EDD). In the EDD maps, strongly covalent bonds between Al atoms and transition metal (TM) atoms are visible. As regards the chemical bonding, Al10Mn3 has an icosahedral bonding environment, whereas Al5Co2 does not. The number of electrons belonging to each atom and the charge transfer from Al atoms to TM atoms have been derived from the EDD maps. The negative valences were estimated to be -1.25 and -1.26 for Co atoms and -1.00 for a Mn atom. These negative valences can be understood to be the charge transfer due to the covalent bond with strongly ionic character. These results were compared with pair-potential calculations and band-structure calculations., Feb. 1999, 11, 4, 1015, 1026, 10.1088/0953-8984/11/4/009
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  • Not Refereed, MATERIALS TRANSACTIONS JIM, JAPAN INST METALS, X-ray diffraction study of the decagonal Al70Ni10Co20, Y Matsuo; N Sugiyama; K Yamamoto, A decagonal Al70Ni10Co20 single quasicrystal was studied with high-resolution X-ray diffraction. Full-widths at half-maximum (FWHM) of Bragg reflections along the longitudinal direction (L) monotonically increase with increasing of Q(perpendicular to). This result suggests that the Al70Ni10Co20 decagonal phase has random phason strain. On the other hand, FWHM for both transverse directions T1 and T2, which are perpendicular to the L-direction in an aperiodic plane (T1) and along a periodic direction (T2), have linear Q(parallel to) dependence. So the single crystal has some distortion of mosaics. Notable peak shifts from ideal Bragg peak positions were not observed., Feb. 1999, 40, 2, 137, 140, 10.2320/matertrans1989.40.137
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  • Not Refereed, Journal of Physics : Condensed Matter, X-ray Study of the Electron Density Distribution for Hexagonal Al5Co2 and Al10Mn3, YAMAMOTO Kazuki; K Yamamoto; M.Jono; Y Matsuo, 1999, 11, 1015, 1026, 10.1088/0953-8984/11/4/009
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  • Not Refereed, JAPANESE JOURNAL OF APPLIED PHYSICS PART 2-LETTERS, JAPAN J APPLIED PHYSICS, X-ray fluorescence analysis of rare-earth atoms in materials by use of ultrashort wavelength X-rays, Y Takahashi; K Yamamoto; K Ohshima; K Yukino; FP Okamura, A new technique of X-ray fluorescence analysis using ultrashort-wavelength X-rays was tested to obtain the K-series of spectra for rare-earth elements in two different kinds of materials, i.e. powder samples of rare-earth oxides and single crystals of rare-earth hexaborides. This technique utilizes a solid-state detector and multichannel pulse-height analyzer, and satisfies the requirements for quantitative identification in samples containing heavy elements. This technique was applied to determine the composition of the mixed compound La1-xCexB6 (z = 0.25, 0.50 and 0.75). There is good agreement, within the limits of experimental error, between the values thus obtained and the nominal values., May 1998, 37, 5A, L556, L558, 10.1143/jjap.37.L556
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  • Not Refereed, Journal of Physics : Condensed Matter, Investigation of phason strain in decagonal Al-Pd-Mn single crystals by means of X-ray diffraction, 山本 一樹; Y Matsuo; K Yamamoto; Y Ishii, 1998, 10, 5, 983, 10.1088/0953-8984/10/5/008
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  • Not Refereed, Proceedings of the 6th International Conference on Quasicrystals, X-ray Diffuse Scattering in the Al-Pd-Mn Decagonal Quasicrystal, 山本 一樹; K Yamamoto; Y Matsuo; M Ota, 1998, 403
  • Not Refereed, JOURNAL OF MAGNETISM AND MAGNETIC MATERIALS, ELSEVIER SCIENCE BV, An observation of localized 3d electron density distribution of Fe3O4, Y Kino; FP Okamura; K Yamamoto; K Siratori, Measurement of X-ray diffraction data using WK alpha (lambda = 0.20889 Angstrom) radiation was carried out on Fe3O4 at room temperature. Data were analyzed using the maximum entropy method (MEM). The electron density distribution of the (1 0 0) and (1 1 0) planes of Fe3O4 are examined in detail. Electron density associated with a covalent bond between oxygen and Fe3+ ions could be observed at the tetrahedral sites. Furthermore, after subtraction of the core electrons sharp peaks were clearly observed, corresponding to d gamma and d epsilon energy states of the d-orbital of the Fe ions. (C) 1998 Elsevier Science B.V. All rights reserved., Jan. 1998, 177, 1, 243, 244, 10.1016/S0304-8853(97)00854-8
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  • Not Refereed, JOURNAL OF APPLIED CRYSTALLOGRAPHY, MUNKSGAARD INT PUBL LTD, On the estimation of the termination effect in Fourier synthesis in X-ray structure analysis, Y Takahashi; K Ohshima; K Yamamoto; K Yukino; FP Okamura, An accurate structure analysis of a spherical LaB6 single crystal has been performed with the use of short-wavelength X-rays (W K alpha(1)) in order to estimate the termination effect in Fourier synthesis on the electron-density distribution (EDD). It is concluded that the effect on the EDD is negligible if data are taken up to sin theta/lambda = 2.0 Angstrom(-1), because the negative values disappear completely from the map. The values of displacement parameters of the constituent atoms in LaB6 are also discussed., Dec. 1998, 31, 917, 921, 10.1107/S0021889898009194
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  • Not Refereed, JAPANESE JOURNAL OF APPLIED PHYSICS PART 2-LETTERS, JAPAN J APPLIED PHYSICS, X-ray fluorescence analysis of rare-earth atoms in materials by use of ultrashort wavelength X-rays, Y Takahashi; K Yamamoto; K Ohshima; K Yukino; FP Okamura, A new technique of X-ray fluorescence analysis using ultrashort-wavelength X-rays was tested to obtain the K-series of spectra for rare-earth elements in two different kinds of materials, i.e. powder samples of rare-earth oxides and single crystals of rare-earth hexaborides. This technique utilizes a solid-state detector and multichannel pulse-height analyzer, and satisfies the requirements for quantitative identification in samples containing heavy elements. This technique was applied to determine the composition of the mixed compound La1-xCexB6 (z = 0.25, 0.50 and 0.75). There is good agreement, within the limits of experimental error, between the values thus obtained and the nominal values., May 1998, 37, 5A, L556, L558, 10.1143/jjap.37.L556
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  • Not Refereed, Journal of Physics : Condensed Matter, Investigation of phason strain in decagonal Al-Pd-Mn single crystals by means of X-ray diffraction, YAMAMOTO Kazuki; Y Matsuo; K Yamamoto; Y Ishii, 1998, 10, 5, 983, 10.1088/0953-8984/10/5/008
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  • Not Refereed, Proceedings of the 6th International Conference on Quasicrystals, X-ray Diffuse Scattering in the Al-Pd-Mn Decagonal Quasicrystal, YAMAMOTO Kazuki; K Yamamoto; Y Matsuo; M Ota, 1998, 403
  • Not Refereed, JOURNAL OF MAGNETISM AND MAGNETIC MATERIALS, ELSEVIER SCIENCE BV, An observation of localized 3d electron density distribution of Fe3O4, Y Kino; FP Okamura; K Yamamoto; K Siratori, Measurement of X-ray diffraction data using WK alpha (lambda = 0.20889 Angstrom) radiation was carried out on Fe3O4 at room temperature. Data were analyzed using the maximum entropy method (MEM). The electron density distribution of the (1 0 0) and (1 1 0) planes of Fe3O4 are examined in detail. Electron density associated with a covalent bond between oxygen and Fe3+ ions could be observed at the tetrahedral sites. Furthermore, after subtraction of the core electrons sharp peaks were clearly observed, corresponding to d gamma and d epsilon energy states of the d-orbital of the Fe ions. (C) 1998 Elsevier Science B.V. All rights reserved., Jan. 1998, 177, 1, 243, 244, 10.1016/S0304-8853(97)00854-8
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  • Not Refereed, JOURNAL OF APPLIED CRYSTALLOGRAPHY, MUNKSGAARD INT PUBL LTD, On the estimation of the termination effect in Fourier synthesis in X-ray structure analysis, Y Takahashi; K Ohshima; K Yamamoto; K Yukino; FP Okamura, An accurate structure analysis of a spherical LaB6 single crystal has been performed with the use of short-wavelength X-rays (W K alpha(1)) in order to estimate the termination effect in Fourier synthesis on the electron-density distribution (EDD). It is concluded that the effect on the EDD is negligible if data are taken up to sin theta/lambda = 2.0 Angstrom(-1), because the negative values disappear completely from the map. The values of displacement parameters of the constituent atoms in LaB6 are also discussed., Dec. 1998, 31, 917, 921, 10.1107/S0021889898009194
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  • Not Refereed, PHILOSOPHICAL MAGAZINE LETTERS, TAYLOR & FRANCIS LTD, Structure of a new orthorhombic crystalline phase in the Al-Cr-Pd alloy system, Y Matsuo; K Yamamoto; Y Iko, During a study of decagonal quasicrystals and approximant crystals in the Al-Cr-Pd alloy system, a new crystalline phase has been found in an alloy with the composition Al-75(CT, Pd)(25). The crystal structure has been determined by a single-crystal X-ray analysis. This phase has an orthorhombic structure with lattice parameters a = 1.484 nm, b = 1.262 nm and c = 1.272 nm, and the space group is Pnma (No. 62). The atomic model was determined by the least-squares refinement to a final R value of 0.065 for 2418 unique reflections. The atomic arrangement of this phase is considered to be isostructural with Al3Mn and closely related to the structure of the O-phase (proposed by Sun, Yubuta and Hiraga in 1995) and Al-Pd-Mn decagonal quasicrystal. Structural relationships between the Al-75(Cr, Pd)(25) phase, the O-phase, Al3Mn and the Al-Pd-Mn decagonal quasicrystal are discussed., Mar. 1997, 75, 3, 137, 142, 10.1080/095008397179688
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  • Not Refereed, PHILOSOPHICAL MAGAZINE LETTERS, TAYLOR & FRANCIS LTD, Structure of a new orthorhombic crystalline phase in the Al-Cr-Pd alloy system, Y Matsuo; K Yamamoto; Y Iko, During a study of decagonal quasicrystals and approximant crystals in the Al-Cr-Pd alloy system, a new crystalline phase has been found in an alloy with the composition Al-75(CT, Pd)(25). The crystal structure has been determined by a single-crystal X-ray analysis. This phase has an orthorhombic structure with lattice parameters a = 1.484 nm, b = 1.262 nm and c = 1.272 nm, and the space group is Pnma (No. 62). The atomic model was determined by the least-squares refinement to a final R value of 0.065 for 2418 unique reflections. The atomic arrangement of this phase is considered to be isostructural with Al3Mn and closely related to the structure of the O-phase (proposed by Sun, Yubuta and Hiraga in 1995) and Al-Pd-Mn decagonal quasicrystal. Structural relationships between the Al-75(Cr, Pd)(25) phase, the O-phase, Al3Mn and the Al-Pd-Mn decagonal quasicrystal are discussed., Mar. 1997, 75, 3, 137, 142, 10.1080/095008397179688
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  • Not Refereed, Journal of Physics Condensed Matter, Determination of the chiral structure of CsCuCl3 using anomalous x-ray scattering near the Cs K absorption edge, T. Koiso; K. Yamamoto; Y. Hata; Y. Takahashi; E. Kita; K. Ohshima; F. P. Okamura, A structural study of CsCuCl3, grown from aqueous solution, was performed using anomalous x-ray scattering near the Cs K absorption edge to determine an absolute configuration of constituent atoms. The sense of the helical structure of the CuCl3 chain was found to be predominantly right-handed through a comparison of observed Bragg Bijvoet ratios with calculated ones. Assuming that CsCuCl3 consists of the two domains (i.e. right- and left-handed helices), we estimate that the volume fraction for the right-handed helix is 0.87 ± 0.02., 16 Sep. 1996, 8, 38, 7059, 7065, 10.1088/0953-8984/8/38/010
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  • Not Refereed, Journal of Physics Condensed Matter, Determination of the chiral structure of CsCuCl3 using anomalous x-ray scattering near the Cs K absorption edge, T. Koiso; K. Yamamoto; Y. Hata; Y. Takahashi; E. Kita; K. Ohshima; F. P. Okamura, A structural study of CsCuCl3, grown from aqueous solution, was performed using anomalous x-ray scattering near the Cs K absorption edge to determine an absolute configuration of constituent atoms. The sense of the helical structure of the CuCl3 chain was found to be predominantly right-handed through a comparison of observed Bragg Bijvoet ratios with calculated ones. Assuming that CsCuCl3 consists of the two domains (i.e. right- and left-handed helices), we estimate that the volume fraction for the right-handed helix is 0.87 ± 0.02., 16 Sep. 1996, 8, 38, 7059, 7065, 10.1088/0953-8984/8/38/010
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  • Not Refereed, JOURNAL OF APPLIED CRYSTALLOGRAPHY, MUNKSGAARD INT PUBL LTD, A new technique for making spheres of single crystals, Y Takahashi; K Yamamoto; K Ohshima; K Yukino; FP Okamura, A new technique for making spheres of single crystals is briefly described. It is confirmed that this method is very effective when used to prepare spherical specimens of LaB6, a refractory material that is widely used as a thermo-radiated material., Apr. 1996, 29, 1, 206, 207, 10.1107/S0021889895013720
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  • Not Refereed, JOURNAL OF APPLIED CRYSTALLOGRAPHY, MUNKSGAARD INT PUBL LTD, A new technique for making spheres of single crystals, Y Takahashi; K Yamamoto; K Ohshima; K Yukino; FP Okamura, A new technique for making spheres of single crystals is briefly described. It is confirmed that this method is very effective when used to prepare spherical specimens of LaB6, a refractory material that is widely used as a thermo-radiated material., Apr. 1996, 29, 1, 206, 207, 10.1107/S0021889895013720
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  • Not Refereed, Acta Crystallographica A, MEM Analysis of Electron-Density Distributions for Silicon and Diamond using Short-Wavelength X-rays(WKα11), 山本 一樹; K. Yamamoto; Y. Takahashi; K. Ohshima; F. P. Okamura; K. Yukino, 1996, 52, 4, 606, 10.1107/S0108767396001845
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  • Not Refereed, Acta Crystallographica A, MEM Analysis of Electron-Density Distributions for Silicon and Diamond using Short-Wavelength X-rays(WKα11), YAMAMOTO Kazuki; K. Yamamoto; Y. Takahashi; K. Ohshima; F. P. Okamura; K. Yukino, 1996, 52, 4, 606, 10.1107/S0108767396001845
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  • Not Refereed, JOURNAL OF PHYSICS-CONDENSED MATTER, IOP PUBLISHING LTD, X-RAY-DIFFRACTION STUDY OF LATTICE-PARAMETERS FOR LAYERED COMPOUNDS M(X)TAS(2) (M=TL OR IN), T TAKEDA; S YOKOZEKI; K YAMAMOTO; K OHSHIMA, The composition dependence of lattice parameters for layered compounds M(x)TaS(2) (M = Tl or In, 0 < x < 0.6) has been determined by an x-ray diffraction method, in order to discuss the structural characteristics. Stage-2 and stage-1 phases for both compounds exist. A drastic change in the c-axis layer spacing was found for stage-1 Tl0.465TaS2, although there was no such anomaly in the composition dependence of the c-axis lattice parameter for InxTaS2., Jun. 1995, 7, 24, 4625, 4628, 10.1088/0953-8984/7/24/004
    DOI URL
  • Not Refereed, JOURNAL OF PHYSICS-CONDENSED MATTER, IOP PUBLISHING LTD, X-RAY-DIFFRACTION STUDY OF LATTICE-PARAMETERS FOR LAYERED COMPOUNDS M(X)TAS(2) (M=TL OR IN), T TAKEDA; S YOKOZEKI; K YAMAMOTO; K OHSHIMA, The composition dependence of lattice parameters for layered compounds M(x)TaS(2) (M = Tl or In, 0 < x < 0.6) has been determined by an x-ray diffraction method, in order to discuss the structural characteristics. Stage-2 and stage-1 phases for both compounds exist. A drastic change in the c-axis layer spacing was found for stage-1 Tl0.465TaS2, although there was no such anomaly in the composition dependence of the c-axis lattice parameter for InxTaS2., Jun. 1995, 7, 24, 4625, 4628, 10.1088/0953-8984/7/24/004
    DOI URL
  • Not Refereed, Journal of Solid State Chemistry, X-ray Study of Average Structure of Cu2Se and Cu1.8S in the Room Temperature and the High Temperature Phases, 山本 一樹; K.Yamamoto; S.Kashida, 1991, 93, 1, 202, 10.1016/0022-4596(91)90289-T
    DOI URL
  • Not Refereed, Journal of Physics Condensed Matter, An X-ray Study of the Incommensurate in Digenite(Cu1.8S), 山本 一樹; S.Kashida; K.Yamamoto, 1991, 3, 34, 6559, 10.1088/0953-8984/3/34/001
    DOI URL
  • Not Refereed, SOLID STATE IONICS, ELSEVIER SCIENCE BV, X-RAY STUDY OF THE CATION DISTRIBUTION IN CU2SE, CU1.8SE AND CU1.8S - ANALYSIS BY THE MAXIMUM-ENTROPY METHOD, K YAMAMOTO; S KASHIDA, The structures of fast ion conductors Cu2Se, Cu1.8Se and Cu1.8S have been studied with the use of single crystal X-ray diffraction data. The compounds have cubic antifluorite structures, copper ions and distributed to the tetrahedral, trigonal and octahedral interstitials of the chalcogen atoms. In the refinement of the structures, the maximum entropy method (MEM) is used to construct the density map of the copper ions. The distribution of the copper ions is studied as a function of temperature. The diffusion path of the mobile copper ions is also discussed. The present method, MEM is found to have several advantages over the previous methods, such as the split atom, the anharmonic and the excluded volume models., Nov. 1991, 48, 3-4, 241, 248
  • Not Refereed, Journal of Solid State Chemistry, X-ray Study of Average Structure of Cu2Se and Cu1.8S in the Room Temperature and the High Temperature Phases, YAMAMOTO Kazuki; K.Yamamoto; S.Kashida, 1991, 93, 1, 202, 10.1016/0022-4596(91)90289-T
    DOI URL
  • Not Refereed, Journal of Physics Condensed Matter, An X-ray Study of the Incommensurate in Digenite(Cu1.8S), YAMAMOTO Kazuki; S.Kashida; K.Yamamoto, 1991, 3, 34, 6559, 10.1088/0953-8984/3/34/001
    DOI URL
  • Not Refereed, Solid State Ionics, X-ray Study of Cation distribution in Cu2Se1 Cu1,8Se and Cu1.8S : Analysis by the Maximum Entropy Method, YAMAMOTO Kazuki, 1991, 48, 3-4, 24
  • Not Refereed, Journal of Solid State Chemistry, Strucral Phase Transition in KHCO3, 山本 一樹; S.Kashida; K.Yamamoto, 1990, 86, 2, 180, 10.1016/0022-4596(90)90133-I
    DOI URL
  • Not Refereed, Journal of Solid State Chemistry, Strucral Phase Transition in KHCO3, YAMAMOTO Kazuki; S.Kashida; K.Yamamoto, 1990, 86, 2, 180, 10.1016/0022-4596(90)90133-I
    DOI URL
  • 春の分科会講演予稿集, The Physical Society of Japan (JPS), 26p-W-1 Structur analysises of Cu_<1.8>S and Cu_2Se by the Maximum Entropy Method, Yamamoto K.; Kashida S., 11 Mar. 1991, 1991, 2, 265, 265
  • Abstracts of the meeting of the Physical Society of Japan. Annual meeting, The Physical Society of Japan (JPS), 2p-R-2 The study of electron-density distributions for crystals using the short-wavelength X-rays, Yamamoto Kazuki, 15 Mar. 1996, 51, 2, 107, 108
  • Meeting abstracts of the Physical Society of Japan, The Physical Society of Japan (JPS), 28pYK-2 X-ray study of the structural stability in Hexagonal-Al_5Fe_<2-x>Ni_x(x=1〜2), Miyazaki Hiroka; Yamamoto Kazuki, 03 Mar. 2009, 64, 1, 787, 787
  • Meeting abstracts of the Physical Society of Japan, The Physical Society of Japan (JPS), 28a-G-10 Phason strains in an Al-Cu-Fe icosahedoral phase, Jono M.; Mastuo Y.; Yamamoto K.; Ishii Y., 15 Mar. 1999, 54, 1, 504, 504
  • Meeting abstracts of the Physical Society of Japan, The Physical Society of Japan (JPS), Temperature dependence of linear phason strain in Al-Pd-Mn decagonal quasicrystal, KITANO A.; MATSUO Y.; YAMAMOTO K.; ISHII Y.; HIRAGA K., 05 Sep. 1998, 53, 2, 595, 595
  • Abstracts of the meeting of the Physical Society of Japan. Sectional meeting, The Physical Society of Japan (JPS), 30p-P-1 The composition dependence of structure in the intercalation compound Cu_xRiS_2, Kusawake T.; Yamamoto K.; Ohshima K., 12 Sep. 1995, 1995, 2, 560, 560
  • IEICE technical report. Component parts and materials, The Institute of Electronics, Information and Communication Engineers, Electron Distribution Analysis of C(diamond),Si,Ge,Fe_3O_4 etc. Using Uotra-short Wavelength X-rays, F P.Okamura; K Yukino; K Yamamoto; K Ohshima; Y Kino, A novel experimental system for high resolution analysis of electron distribution was developed and applied suessfully for the cases of C(diamond), Si, Ge, Fe_3o_4 etc., 19 May 1994, 94, 39, 35, 41
  • 秋の分科会講演予稿集, The Physical Society of Japan (JPS), 25a-S-12 The electron density distribution of the fast ion conductor by the maximum entropy method I, Yamamoto K; Okamura F; Ohshima K, 14 Sep. 1992, 1992, 2, 537, 537
  • 年会講演予稿集, The Physical Society of Japan (JPS), 29p-D-15 Structual Study of Intercalation Compound,Tl_xTaS_2, Takeda T.; Yamamoto K.; Ohshima K.; Kashihara Y.; Shimada K.; Harada J., 12 Sep. 1991, 46, 2, 171, 171

Books etc

  • Phason Strain in Al70Ni10Co20 Decagonal Quasicrystal 「共著」, Materials Research Society Symposium Proceeding ; Quasicrystal, YAMAMOTO Kazuki, 1999, 553巻183-187頁, Not Refereed

Research Projects

  • 2010, 層間化合物の構造研究, 0, 0, 0, Competitive research funding
  • 1996, 準結晶の構造に関するX線による研究, 0, 0, 0, Competitive research funding
  • 1996, X-ray Study of Structure for Quasicrystals, 0, 0, 0, Competitive research funding
  • 1991, 結晶内電子密度分布のX線による研究, 0, 0, 0, Competitive research funding
  • 1991, X-ray Study of Electron Density Distributions in Crystals., 0, 0, 0, Competitive research funding
  • Grant-in-Aid for Scientific Research (C), 2004, 2005, 16560578, Reversible quasicrystal-crystal transformation in the AlNiFe decagonal phase, YAMAMOTO Kazuki, Japan Society for the Promotion of Science, Grants-in-Aid for Scientific Research, Nara Women's University, 3300000, 3300000, Aluminum transition-metal alloy systems have many quasicrystal - phases. A reversible quasicrystal-crystal transformation was studied for the Al-Ni-Fe decagonal quasicrystal by high resolution X-ray diffraction method. To make a comparison, a successive transformation of the Al-Ni-Co decagonal quasicrystal was studied. (1) Ideal single crystals of the Al-Ni-Fe decagonal phase, which has no phason strains, were obtained by being annealed at 850℃. After being annealed at 600℃, these decagonal single crystals were transformed completely into Al_<13>Fe_4 approximant single crystals without twin structures. Next, after being re-annealed at 850℃, the ideal decagonal phase was recovered from the approximant phase. Moreover after being annealed at 700℃, the decagonal phase were transformed again into the approximant phase without twin structures. Therefore, the reversible transformation between the decagonal quasicrystal and the approximant crystal was observed in single crystals of the Al-Ni-Fe decagonal phase. (2) In the Co-rich Al-Ni-Co decagonal phase classified by 5f and 5f_, single crystals of several groups with different phason strains were obtained. In extremely Co-rich region at the high temperature 1000℃, ideal decagonal quasicrystals were appeared. In comparatively Co-poor region above 900℃, one-dimensional quasicrystals, which has one-dimensional linear phason strain along one two-fold axis, were formed. Moreover, semi-one-dimensional quasicrystal, which has small linear phason strain along another two-fold axis in addition to above-mentioned strains, was discovered by synchrotron x-ray measurements. At 800℃, decagonal phases with random phason strains were observed. Therefore, these results suggest that the Co-rich Al-Ni-Co decagonal phase shows the successive transformation from a decagonal quasicrystal through a one-dimensional quasicrystal to an approximant crystal. And the dependence of phason strains on the composition and the temperature was decided., kaken
    対象リソースIRI
  • 特定領域研究(A), 1999, 1999, 11123225, 準結晶-結晶相変態メカニズムの研究-, 松尾 欣枝; 山本 一樹, 日本学術振興会, 科学研究費助成事業, 奈良女子大学, 1500000, 1500000, 準結晶の構造や安定性を議論する上で、準結晶-準結晶相変態や準結晶-近似結晶相変態のメカニズムを調べることは重要である。特に準結晶特有のフェイゾン歪と相変態との関係を明らかにする必要がある。多くの準結晶には実際ランダムフェイゾンやリニアフェイゾンが含まれており、理想的な準結晶からずれている。とくに後者は、構造的に近似結晶と密接な関係がある。そこで、我々は、種々の準結晶について単準結晶を作製し、フェイゾン歪の検出を行った。AlCuFe系I相準結晶は、X線回析実験により、5回軸上のピークのみが顕著にピークシフトのQ⊥依存性を示すことから、5回軸に沿ったリニアフェイゾンの存在が明らかになった。これはI_hからD_<5d>への対称性の変化であり、シフト量の大きさから、I相準結晶からP2相への変態であることが明らかになった。この結果は1999年10月ドイツで開かれた第七回準結晶国際会議において報告し、注目された。それが、別添論文(1)である。 A1NiCo 系D相準結晶には組成と温度の違いにより、種々の形態の相の存在が報告されている。これらの相の安定性と相変態のメカニズムを調べる目的で、フェイゾン歪の種類、及び、その温度、組成依存性についてX線回析及び高分解能電子顕微鏡を用いて研究した。その結果、組成A1_<70>Ni_<10>Co_<20>の低温相bCoから高温相S1への相変態には、ランダムフェイゾンが関係し、組成A1_<72.7>Ni_<8.5>Co_<18.8>の低温性5Fから高温相5F_への相変態には、リニアフェイゾンが関係していることが明らかになった。また、組成A1_<70.3>Ni_<23.0>Co_<6.7>の高温相bNiをも含め、いずれの相も高温ではフェイゾンを含まない完全性の高い準結晶であることが明らかになった。この結果は1999年11月日本金属学会において報告し、注目された。現在論文投稿中である。, kaken
    対象リソースIRI
  • 特定領域研究(A), 1998, 1998, 10136232, 準結晶のPhason歪と近似結晶の関係, 松尾 欣枝; 山本 一樹, 日本学術振興会, 科学研究費助成事業, 奈良女子大学, 2300000, 2300000, 準結晶のブラッグ反射のピークプロファイルとピークシフトの観察は、準結晶の安定性やフェイゾン歪みによる準結晶ー結晶相変態の機構の研究において大変興味深い。Al-Ni-Co合金では、最近、温度と成分により、少なくとも8つの異なるタイプのD相準結晶の存在が示された。従って、Al-Ni-CoD相準結晶の異なるタイプの安定性と、それらの間の相変態を調べることは重要である。そこで、本研究は、シンクロトロン放射光SPring-8のビームラインBLO2Blによる高分解能単結晶X線回折実験から、Al_<70>Ni_<10>Co_<20>D相準結晶のブラッグ反射の位置変化とピーク形の精密な測定を行い、フェイゾン歪みに関する情報を得ることを目的とした。 実験では、波長0.6888Åを持つX線を使用し、単結晶試料の10回軸が回折平面に垂直になるよう取り付け、2種類の2回軸上のブラッグ反射のピーク形と位置を測定した。最初、L方向(準周期面内の動径方向)に沿った回折パターンの測定を行い、それから、L方向に垂直で回折面内のT1方向を測定した。各々のブラッグ反射の理想位置からの有為なシフトは観測できなかった。一方、L方向に対する半値幅はQ_⊥?線形依存性を示し、T1方向のモザイク幅デコンボリューション後の半値幅も同様なQ_⊥線形依存性を示した。X線回折では、フェイゾン歪みの効果は、2つの異なった効果に分けられるが、Al_<70>Ni_<10>Co_<20>D相準結晶では、半値幅のQ_⊥依存性から、ランダムフェイゾンが存在すること、一方、ピークの位置変化は無いので、リニアフェイゾンは混在していないことが明らかになった。, kaken
    対象リソースIRI
  • 重点領域研究, 1997, 1997, 09242227, 準結晶-結晶相変態のX線的研究, 松尾 欣枝; 山本 一樹, 日本学術振興会, 科学研究費助成事業, 奈良女子大学, 2600000, 2600000, 準結晶-結晶相変態の研究において最も重要となるのが、準結晶の構造とその安定性に関する情報を得ることであり、そのためには良質の単準結晶を用いることが不可欠となる。ただし、準結晶は周期性を持たないため、その構造を解析する事は難しい。従って、まず我々は別添論文(1)に示すように、Al-Pd-Mn系の近似結晶の構造解析を行う事により、準結晶を構成しているクラスターに関する情報を得た。 一方、準結晶の安定性に関しては通常の結晶と異なり、フォノンとフェイゾンの2種類の物理量が関係しており、フェイゾンにはリニアーフェイゾンとランダム-フェイゾンがある。前者はブラッグピーク位置の理想位置からのシフト、又は、ブラッグピークの分裂として観測され、後者はピーク幅の広がりとして観測される。我々は、別添論文(2)に示すように、Al-Pd-MnD相準結晶の単準結晶についてX線回折法を用いてピーク位置及びピークプロファイルの精密測定を行った。その結果、リニアフェイゾンの定量測定に成功し、その歪量の大きさにより、D相は2つのタイプに分けられる事を明らかにした。さらに、タイプ1において歪量が特殊な条件を満たしている事が明らかになり、準結晶から結晶への変態にフェイゾンが重要な役割を果たしている事が分かった。これらの結果は平成9年5月に、日本で開かれた第6回準結晶国際会議において報告し、注目された。それが別添論文(3)である。, kaken
    対象リソースIRI
  • 奨励研究(A), 1995, 1995, 07740281, セリウム化合物の高濃度近藤状態,及び重い電子状態における電子密度分布の研究, 山本 一樹, 日本学術振興会, 科学研究費助成事業, 筑波大学, 800000, 800000, 本研究は、科学技術庁無機材研所に設置してある極端波長フォトン発生装置と4軸回折計システムを使用して単結晶X線回析実験を行い、多くの構造因子を測定し、通常の構造解析やマキシマムエントロピー法によりCe化合物の4f電子の局在性・非局在性を評価することである。 そこで、シリコン(Si)、ダイヤモンド(C)及びゲルマニウム(Ge)について短波長X線高分解能電子密度分布の解析を行い、sp^3共有結合の殻の違いによる変化の詳細を明らかにすると共に、これにより、システムが正しいとの評価を下せた。 また、4f電子を1個含むCeB_6と含まないLaB_6及び、4f電子の半閉殻を持つGdB_6について、温室にて、高分解能電子密度分布の解析を行い、4f電子数に伴う変化を定性的に示すことができた。解析に対して最も影響が大きいB-B間の共有結合の電子密度分布が、含まれるランタノイド原紙によらずほぼ同じであること、4f電子を含まないLaB_6によりランタノイド原紙の非調和熱振動の見積もり、4f電子の数の増加によるランタノイド収縮の電子密度分布における影響の見積もり、ランタノイド原子のイオン性の評価などを行い、Ce原子に伴う4f電子密度分布を合成した。, kaken
    対象リソースIRI

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