東後 篤史

最終更新日時: 2015/07/06 15:55:48

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氏名(漢字/フリガナ/アルファベット表記)
東後 篤史/トウゴ アツシ/Tougo, Atsushi
所属部署・職名(部局/所属/講座等/職名)
学際融合教育研究推進センター/構造材料元素戦略研究拠点ユニット/特定准教授
連絡先住所
種別 住所(日本語) 住所(英語)
職場
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種別 番号
職場
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学位名(日本語) 学位名(英語) 大学(日本語) 大学(英語) 取得区分
修士(エネルギー科学) 京都大学
博士(工学) 京都大学
職歴
期間 組織名(日本語) 組織名(英語) 職名(日本語) 職名(英語)
researchmap URL
https://researchmap.jp/7000009002
論文
著者 著者(日本語) 著者(英語) タイトル タイトル(日本語) タイトル(英語) 書誌情報等 書誌情報等(日本語) 書誌情報等(英語) 出版年月 査読の有無 記述言語 掲載種別 公開
Mizokami Keiyu, Togo Atsushi, Tanaka Isao Mizokami Keiyu, Togo Atsushi, Tanaka Isao Mizokami Keiyu, Togo Atsushi, Tanaka Isao Lattice thermal conductivities of two SiO2 polymorphs by first-principles calculations and the phonon Boltzmann transport equation Lattice thermal conductivities of two SiO2 polymorphs by first-principles calculations and the phonon Boltzmann transport equation Lattice thermal conductivities of two SiO2 polymorphs by first-principles calculations and the phonon Boltzmann transport equation PHYSICAL REVIEW B, 97, 22 PHYSICAL REVIEW B, 97, 22 PHYSICAL REVIEW B, 97, 22 2018/06/15 公開
Carreras Abel, Togo Atsushi, Tanaka Isao Carreras Abel, Togo Atsushi, Tanaka Isao Carreras Abel, Togo Atsushi, Tanaka Isao DynaPhoPy: A code for extracting phonon quasiparticles from molecular dynamics simulations DynaPhoPy: A code for extracting phonon quasiparticles from molecular dynamics simulations DynaPhoPy: A code for extracting phonon quasiparticles from molecular dynamics simulations COMPUTER PHYSICS COMMUNICATIONS, 221, 221-234 COMPUTER PHYSICS COMMUNICATIONS, 221, 221-234 COMPUTER PHYSICS COMMUNICATIONS, 221, 221-234 2017/12 公開
Ikeda Yuji, Carreras Abel, Seko Atsuto, Togo Atsushi, Tanaka Isao Ikeda Yuji, Carreras Abel, Seko Atsuto, Togo Atsushi, Tanaka Isao Ikeda Yuji, Carreras Abel, Seko Atsuto, Togo Atsushi, Tanaka Isao Mode decomposition based on crystallographic symmetry in the band-unfolding method Mode decomposition based on crystallographic symmetry in the band-unfolding method Mode decomposition based on crystallographic symmetry in the band-unfolding method PHYSICAL REVIEW B, 95, 2 PHYSICAL REVIEW B, 95, 2 PHYSICAL REVIEW B, 95, 2 2017/01/13 公開
Shibuya Taizo, Skelton Jonathan M., Jackson Adam J., Yasuoka Kenji, Togo Atsushi, Tanaka Isao, Walsh Aron Shibuya Taizo, Skelton Jonathan M., Jackson Adam J., Yasuoka Kenji, Togo Atsushi, Tanaka Isao, Walsh Aron Shibuya Taizo, Skelton Jonathan M., Jackson Adam J., Yasuoka Kenji, Togo Atsushi, Tanaka Isao, Walsh Aron Suppression of lattice thermal conductivity by mass-conserving cation mutation in multi-component semiconductors Suppression of lattice thermal conductivity by mass-conserving cation mutation in multi-component semiconductors Suppression of lattice thermal conductivity by mass-conserving cation mutation in multi-component semiconductors APL MATERIALS, 4, 10 APL MATERIALS, 4, 10 APL MATERIALS, 4, 10 2016/10 公開
Ji Hyo Seok, Togo Atsushi, Kaviany Massoud, Tanaka Isao, Shim Ji Hoon Ji Hyo Seok, Togo Atsushi, Kaviany Massoud, Tanaka Isao, Shim Ji Hoon Ji Hyo Seok, Togo Atsushi, Kaviany Massoud, Tanaka Isao, Shim Ji Hoon Low phonon conductivity of layered BiCuOS, BiCuOSe, and BiCuOTe from first principles Low phonon conductivity of layered BiCuOS, BiCuOSe, and BiCuOTe from first principles Low phonon conductivity of layered BiCuOS, BiCuOSe, and BiCuOTe from first principles PHYSICAL REVIEW B, 94, 11 PHYSICAL REVIEW B, 94, 11 PHYSICAL REVIEW B, 94, 11 2016/09/14 公開
Skelton Jonathan M., Burton Lee A., Parker Stephen C., Walsh Aron, Kim Chang-Eun, Soon Aloysius, Buckeridge John, Sokol Alexey A., Catlow C. Richard A., Togo Atsushi, Tanaka Isao Skelton Jonathan M., Burton Lee A., Parker Stephen C., Walsh Aron, Kim Chang-Eun, Soon Aloysius, Buckeridge John, Sokol Alexey A., Catlow C. Richard A., Togo Atsushi, Tanaka Isao Skelton Jonathan M., Burton Lee A., Parker Stephen C., Walsh Aron, Kim Chang-Eun, Soon Aloysius, Buckeridge John, Sokol Alexey A., Catlow C. Richard A., Togo Atsushi, Tanaka Isao Anharmonicity in the High-Temperature Cmcm Phase of SnSe: Soft Modes and Three-Phonon Interactions Anharmonicity in the High-Temperature Cmcm Phase of SnSe: Soft Modes and Three-Phonon Interactions Anharmonicity in the High-Temperature Cmcm Phase of SnSe: Soft Modes and Three-Phonon Interactions PHYSICAL REVIEW LETTERS, 117, 7 PHYSICAL REVIEW LETTERS, 117, 7 PHYSICAL REVIEW LETTERS, 117, 7 2016/08/10 公開
Sen Gupta Arnab, Akamatsu Hirofumi, Strayer Megan E., Lei Shiming, Kuge Toshihiro, Fujita Koji, dela Cruz Clarina, Togo Atsushi, Tanaka Isao, Tanaka Katsuhisa, Mallouk Thomas E., Gopalan Venkatraman Sen Gupta Arnab, Akamatsu Hirofumi, Strayer Megan E., Lei Shiming, Kuge Toshihiro, Fujita Koji, dela Cruz Clarina, Togo Atsushi, Tanaka Isao, Tanaka Katsuhisa, Mallouk Thomas E., Gopalan Venkatraman Sen Gupta Arnab, Akamatsu Hirofumi, Strayer Megan E., Lei Shiming, Kuge Toshihiro, Fujita Koji, dela Cruz Clarina, Togo Atsushi, Tanaka Isao, Tanaka Katsuhisa, Mallouk Thomas E., Gopalan Venkatraman Improper Inversion Symmetry Breaking and Piezoelectricity through Oxygen Octahedral Rotations in Layered Perovskite Family, LiRTiO4 (R = Rare Earths) Improper Inversion Symmetry Breaking and Piezoelectricity through Oxygen Octahedral Rotations in Layered Perovskite Family, LiRTiO4 (R = Rare Earths) Improper Inversion Symmetry Breaking and Piezoelectricity through Oxygen Octahedral Rotations in Layered Perovskite Family, LiRTiO4 (R = Rare Earths) ADVANCED ELECTRONIC MATERIALS, 2, 1 ADVANCED ELECTRONIC MATERIALS, 2, 1 ADVANCED ELECTRONIC MATERIALS, 2, 1 2016/01 公開
Seko Atsuto, Togo Atsushi, Hayashi Hiroyuki, Tsuda Koji, Chaput Laurent, Tanaka Isao Seko Atsuto, Togo Atsushi, Hayashi Hiroyuki, Tsuda Koji, Chaput Laurent, Tanaka Isao Seko Atsuto, Togo Atsushi, Hayashi Hiroyuki, Tsuda Koji, Chaput Laurent, Tanaka Isao Prediction of Low-Thermal-Conductivity Compounds with First-Principles Anharmonic Lattice-Dynamics Calculations and Bayesian Optimization Prediction of Low-Thermal-Conductivity Compounds with First-Principles Anharmonic Lattice-Dynamics Calculations and Bayesian Optimization Prediction of Low-Thermal-Conductivity Compounds with First-Principles Anharmonic Lattice-Dynamics Calculations and Bayesian Optimization PHYSICAL REVIEW LETTERS, 115, 20 PHYSICAL REVIEW LETTERS, 115, 20 PHYSICAL REVIEW LETTERS, 115, 20 2015/11/10 公開
Togo Atsushi, Tanaka Isao Togo Atsushi, Tanaka Isao Togo Atsushi, Tanaka Isao First principles phonon calculations in materials science First principles phonon calculations in materials science First principles phonon calculations in materials science SCRIPTA MATERIALIA, 108, 1-5 SCRIPTA MATERIALIA, 108, 1-5 SCRIPTA MATERIALIA, 108, 1-5 2015/11 公開
Skelton Jonathan M., Tiana Davide, Parker Stephen C., Togo Atsushi, Tanaka Isao, Walsh Aron Skelton Jonathan M., Tiana Davide, Parker Stephen C., Togo Atsushi, Tanaka Isao, Walsh Aron Skelton Jonathan M., Tiana Davide, Parker Stephen C., Togo Atsushi, Tanaka Isao, Walsh Aron Influence of the exchange-correlation functional on the quasi-harmonic lattice dynamics of II-VI semiconductors Influence of the exchange-correlation functional on the quasi-harmonic lattice dynamics of II-VI semiconductors Influence of the exchange-correlation functional on the quasi-harmonic lattice dynamics of II-VI semiconductors JOURNAL OF CHEMICAL PHYSICS, 143, 6 JOURNAL OF CHEMICAL PHYSICS, 143, 6 JOURNAL OF CHEMICAL PHYSICS, 143, 6 2015/08/14 公開
Togo Atsushi, Chaput Laurent, Tanaka Isao Togo Atsushi, Chaput Laurent, Tanaka Isao Togo Atsushi, Chaput Laurent, Tanaka Isao Distributions of phonon lifetimes in Brillouin zones Distributions of phonon lifetimes in Brillouin zones Distributions of phonon lifetimes in Brillouin zones PHYSICAL REVIEW B, 91, 9 PHYSICAL REVIEW B, 91, 9 PHYSICAL REVIEW B, 91, 9 2015/03/20 公開
Katre Ankita, Togo Atsushi, Tanaka Isao, Madsen Georg K. H. Katre Ankita, Togo Atsushi, Tanaka Isao, Madsen Georg K. H. Katre Ankita, Togo Atsushi, Tanaka Isao, Madsen Georg K. H. First principles study of thermal conductivity cross-over in nanostructured zinc-chalcogenides First principles study of thermal conductivity cross-over in nanostructured zinc-chalcogenides First principles study of thermal conductivity cross-over in nanostructured zinc-chalcogenides JOURNAL OF APPLIED PHYSICS, 117, 4 JOURNAL OF APPLIED PHYSICS, 117, 4 JOURNAL OF APPLIED PHYSICS, 117, 4 2015/01/28 公開
Watanabe Shin, Tajima Hiroyasu, Fukazawa Yasushi, Ichinohe Yuto, Takeda Shin'ichiro, Enoto Teruaki, Fukuyama Taro, Furui Shunya, Genba Kei, Hagino Kouichi, Harayama Atsushi, Kuroda Yoshikatsu, Matsuura Daisuke, Nakamura Ryo, Nakazawa Kazuhiro, Noda Hirofumi, Odaka Hirokazu, Ohta Masayuki, Onishi Mitsunobu, Saito Shinya, Sato Goro, Sato Tamotsu, Takahashi Tadayuki, Tanaka Takaaki, Togo Atsushi, Tomizuka Shinji Watanabe Shin, Tajima Hiroyasu, Fukazawa Yasushi, Ichinohe Yuto, Takeda Shin'ichiro, Enoto Teruaki, Fukuyama Taro, Furui Shunya, Genba Kei, Hagino Kouichi, Harayama Atsushi, Kuroda Yoshikatsu, Matsuura Daisuke, Nakamura Ryo, Nakazawa Kazuhiro, Noda Hirofumi, Odaka Hirokazu, Ohta Masayuki, Onishi Mitsunobu, Saito Shinya, Sato Goro, Sato Tamotsu, Takahashi Tadayuki, Tanaka Takaaki, Togo Atsushi, Tomizuka Shinji Watanabe Shin, Tajima Hiroyasu, Fukazawa Yasushi, Ichinohe Yuto, Takeda Shin'ichiro, Enoto Teruaki, Fukuyama Taro, Furui Shunya, Genba Kei, Hagino Kouichi, Harayama Atsushi, Kuroda Yoshikatsu, Matsuura Daisuke, Nakamura Ryo, Nakazawa Kazuhiro, Noda Hirofumi, Odaka Hirokazu, Ohta Masayuki, Onishi Mitsunobu, Saito Shinya, Sato Goro, Sato Tamotsu, Takahashi Tadayuki, Tanaka Takaaki, Togo Atsushi, Tomizuka Shinji The Si/CdTe semiconductor Compton camera of the ASTRO-H Soft Gamma-ray Detector (SGD) The Si/CdTe semiconductor Compton camera of the ASTRO-H Soft Gamma-ray Detector (SGD) The Si/CdTe semiconductor Compton camera of the ASTRO-H Soft Gamma-ray Detector (SGD) NUCLEAR INSTRUMENTS & METHODS IN PHYSICS RESEARCH SECTION A-ACCELERATORS SPECTROMETERS DETECTORS AND ASSOCIATED EQUIPMENT, 765, 192-201 NUCLEAR INSTRUMENTS & METHODS IN PHYSICS RESEARCH SECTION A-ACCELERATORS SPECTROMETERS DETECTORS AND ASSOCIATED EQUIPMENT, 765, 192-201 NUCLEAR INSTRUMENTS & METHODS IN PHYSICS RESEARCH SECTION A-ACCELERATORS SPECTROMETERS DETECTORS AND ASSOCIATED EQUIPMENT, 765, 192-201 2014/11/21 公開
Ikeda Yuji, Seko Atsuto, Togo Atsushi, Tanaka Isao Ikeda Yuji, Seko Atsuto, Togo Atsushi, Tanaka Isao Ikeda Yuji, Seko Atsuto, Togo Atsushi, Tanaka Isao Phonon softening in paramagnetic bcc Fe and its relationship to the pressure-induced phase transition Phonon softening in paramagnetic bcc Fe and its relationship to the pressure-induced phase transition Phonon softening in paramagnetic bcc Fe and its relationship to the pressure-induced phase transition PHYSICAL REVIEW B, 90, 13 PHYSICAL REVIEW B, 90, 13 PHYSICAL REVIEW B, 90, 13 2014/10/22 公開
Skelton Jonathan M., Parker Stephen C., Togo Atsushi, Tanaka Isao, Walsh Aron Skelton Jonathan M., Parker Stephen C., Togo Atsushi, Tanaka Isao, Walsh Aron Skelton Jonathan M., Parker Stephen C., Togo Atsushi, Tanaka Isao, Walsh Aron Thermal physics of the lead chalcogenides PbS, PbSe, and PbTe from first principles Thermal physics of the lead chalcogenides PbS, PbSe, and PbTe from first principles Thermal physics of the lead chalcogenides PbS, PbSe, and PbTe from first principles PHYSICAL REVIEW B, 89, 20 PHYSICAL REVIEW B, 89, 20 PHYSICAL REVIEW B, 89, 20 2014/05/15 公開
Akamatsu Hirofumi, Fujita Koji, Kuge Toshihiro, Sen Gupta Arnab, Togo Atsushi, Lei Shiming, Xue Fei, Stone Greg, Rondinelli James M., Chen Long-Qing, Tanaka Isao, Gopalan Venkatraman, Tanaka Katsuhisa Akamatsu Hirofumi, Fujita Koji, Kuge Toshihiro, Sen Gupta Arnab, Togo Atsushi, Lei Shiming, Xue Fei, Stone Greg, Rondinelli James M., Chen Long-Qing, Tanaka Isao, Gopalan Venkatraman, Tanaka Katsuhisa Akamatsu Hirofumi, Fujita Koji, Kuge Toshihiro, Sen Gupta Arnab, Togo Atsushi, Lei Shiming, Xue Fei, Stone Greg, Rondinelli James M., Chen Long-Qing, Tanaka Isao, Gopalan Venkatraman, Tanaka Katsuhisa Inversion Symmetry Breaking by Oxygen Octahedral Rotations in the Ruddlesden-Popper NaRTiO4 Family Inversion Symmetry Breaking by Oxygen Octahedral Rotations in the Ruddlesden-Popper NaRTiO4 Family Inversion Symmetry Breaking by Oxygen Octahedral Rotations in the Ruddlesden-Popper NaRTiO4 Family PHYSICAL REVIEW LETTERS, 112, 18 PHYSICAL REVIEW LETTERS, 112, 18 PHYSICAL REVIEW LETTERS, 112, 18 2014/05/07 公開
Edalati Kaveh, Daio Takeshi, Arita Makoto, Lee Seungwon, Horita Zenji, Togo Atsushi, Tanaka Isao Edalati Kaveh, Daio Takeshi, Arita Makoto, Lee Seungwon, Horita Zenji, Togo Atsushi, Tanaka Isao K. Edalati; T. Daio; M. Arita; S. Lee; Z. Horita; A. Togo; I. Tanaka High-pressure torsion of titanium at cryogenic and room temperatures: Grain size effect on allotropic phase transformations High-pressure torsion of titanium at cryogenic and room temperatures: Grain size effect on allotropic phase transformations High-pressure torsion of titanium at cryogenic and room temperatures: Grain size effect on allotropic phase transformations ACTA MATERIALIA, 68, 207-213 ACTA MATERIALIA, 68, 207-213 Acta Materialia, 68, 207-213 2014/04/15 公開
Deringer Volker L., Stoffel Ralf P., Togo Atsushi, Eck Bernhard, Meven Martin, Dronskowski Richard Deringer Volker L., Stoffel Ralf P., Togo Atsushi, Eck Bernhard, Meven Martin, Dronskowski Richard Deringer Volker L., Stoffel Ralf P., Togo Atsushi, Eck Bernhard, Meven Martin, Dronskowski Richard Ab initio ORTEP drawings: a case study of N-based molecular crystals with different chemical nature Ab initio ORTEP drawings: a case study of N-based molecular crystals with different chemical nature Ab initio ORTEP drawings: a case study of N-based molecular crystals with different chemical nature CRYSTENGCOMM, 16, 47, 10907-10915 CRYSTENGCOMM, 16, 47, 10907-10915 CRYSTENGCOMM, 16, 47, 10907-10915 2014 公開
Togo Atsushi, Tanaka Isao Togo Atsushi, Tanaka Isao A. Togo; I. Tanaka Evolution of crystal structures in metallic elements Evolution of crystal structures in metallic elements Evolution of crystal structures in metallic elements PHYSICAL REVIEW B, 87, 18 PHYSICAL REVIEW B, 87, 18 Physical Review B - Condensed Matter and Materials Physics, 87, 18 2013/05/06 公開
Lane Nina J., Vogel Sven C., Hug Gilles, Togo Atsushi, Chaput Laurent, Hultman Lars, Barsoum Michel W. Lane Nina J., Vogel Sven C., Hug Gilles, Togo Atsushi, Chaput Laurent, Hultman Lars, Barsoum Michel W. N.J. Lane; S.C. Vogel; G. Hug; A. Togo; L. Chaput; L. Hultman; M.W. Barsoum Neutron diffraction measurements and first-principles study of thermal motion of atoms in select M(n+1)AX(n) and binary MX transition-metal carbide phases Neutron diffraction measurements and first-principles study of thermal motion of atoms in select M(n+1)AX(n) and binary MX transition-metal carbide phases Neutron diffraction measurements and first-principles study of thermal motion of atoms in select M<sub>n+1</sub>AX<sub>n</sub> and binary MX transition-metal carbide phases PHYSICAL REVIEW B, 86, 21 PHYSICAL REVIEW B, 86, 21 Physical Review B - Condensed Matter and Materials Physics, 86, 21 2012/12/03 公開
Presser Volker, Naguib Michael, Chaput Laurent, Togo Atsushi, Hug Gilles, Barsoum Michel W. Presser Volker, Naguib Michael, Chaput Laurent, Togo Atsushi, Hug Gilles, Barsoum Michel W. V. Presser; M. Naguib; L. Chaput; A. Togo; G. Hug; M.W. Barsoum First-order Raman scattering of the MAX phases: Ti2AlN, Ti2AlC0.5N0.5, Ti2AlC, (Ti0.5V0.5)2AlC, V2AlC, Ti3AlC2, and Ti3GeC2 First-order Raman scattering of the MAX phases: Ti2AlN, Ti2AlC0.5N0.5, Ti2AlC, (Ti0.5V0.5)2AlC, V2AlC, Ti3AlC2, and Ti3GeC2 First-order Raman scattering of the MAX phases: Ti <sub>2</sub>AlN, Ti <sub>2</sub>AlC <sub>0.5</sub>N <sub>0.5</sub>, Ti <sub>2</sub>AlC, (Ti <sub>0.5</sub>V <sub>0.5</sub>) <sub>2</sub>AlC, V <sub>2</sub>AlC, Ti <sub>3</sub>AlC <sub>2</sub>, and Ti <sub JOURNAL OF RAMAN SPECTROSCOPY, 43, 1, 168-172 JOURNAL OF RAMAN SPECTROSCOPY, 43, 1, 168-172 Journal of Raman Spectroscopy, 43, 1, 168-172 2012/01 公開
Chaput Laurent, Togo Atsushi, Tanaka Isao, Hug Gilles Chaput Laurent, Togo Atsushi, Tanaka Isao, Hug Gilles L. Chaput; A. Togo; I. Tanaka; G. Hug Phonon-phonon interactions in transition metals Phonon-phonon interactions in transition metals Phonon-phonon interactions in transition metals PHYSICAL REVIEW B, 84, 9 PHYSICAL REVIEW B, 84, 9 Physical Review B - Condensed Matter and Materials Physics, 84, 9 2011/09/14 公開
Matsumoto Akifumi, Koyama Yukinori, Togo Atsushi, Choi Minseok, Tanaka Isao Matsumoto Akifumi, Koyama Yukinori, Togo Atsushi, Choi Minseok, Tanaka Isao A. Matsumoto; Y. Koyama; A. Togo; M. Choi; I. Tanaka Electronic structures of dynamically stable As2O3, Sb2O3, and Bi2O3 crystal polymorphs Electronic structures of dynamically stable As2O3, Sb2O3, and Bi2O3 crystal polymorphs Electronic structures of dynamically stable As<sub>2</sub>O<sub>3</sub>, Sb<sub>2</sub>O<sub>3</sub>, and Bi<sub>2</sub>O<sub>3</sub> crystal polymorphs PHYSICAL REVIEW B, 83, 21 PHYSICAL REVIEW B, 83, 21 Physical Review B - Condensed Matter and Materials Physics, 83, 21 2011/06/17 公開
Oba Fumiyasu, Choi Minseok, Togo Atsushi, Tanaka Isao Oba Fumiyasu, Choi Minseok, Togo Atsushi, Tanaka Isao F. Oba; M. Choi; A. Togo; I. Tanaka Point defects in ZnO: an approach from first principles Point defects in ZnO: an approach from first principles Point defects in ZnO: An approach from first principles SCIENCE AND TECHNOLOGY OF ADVANCED MATERIALS, 12, 3 SCIENCE AND TECHNOLOGY OF ADVANCED MATERIALS, 12, 3 Science and Technology of Advanced Materials, 12, 3 2011/06 公開
Oba Fumiyasu, Choi Minseok, Togo Atsushi, Seko Atsuto, Tanaka Isao Oba Fumiyasu, Choi Minseok, Togo Atsushi, Seko Atsuto, Tanaka Isao F. Oba; M. Choi; A. Togo; A. Seko; I. Tanaka Native defects in oxide semiconductors: a density functional approach Native defects in oxide semiconductors: a density functional approach Native defects in oxide semiconductors: A density functional approach JOURNAL OF PHYSICS-CONDENSED MATTER, 22, 38 JOURNAL OF PHYSICS-CONDENSED MATTER, 22, 38 Journal of Physics Condensed Matter, 22, 38 2010/09/29 公開
Tanaka Isao, Seko Atsuto, Togo Atsushi, Koyama Yukinori, Oba Fumiyasu Tanaka Isao, Seko Atsuto, Togo Atsushi, Koyama Yukinori, Oba Fumiyasu I. Tanaka; A. Seko; A. Togo; Y. Koyama; F. Oba Phase relationships and structures of inorganic crystals by a combination of the cluster expansion method and first principles calculations Phase relationships and structures of inorganic crystals by a combination of the cluster expansion method and first principles calculations Phase relationships and structures of inorganic crystals by a combination of the cluster expansion method and first principles calculations JOURNAL OF PHYSICS-CONDENSED MATTER, 22, 38 JOURNAL OF PHYSICS-CONDENSED MATTER, 22, 38 Journal of Physics Condensed Matter, 22, 38 2010/09/29 公開
Togo Atsushi, Chaput Laurent, Tanaka Isao, Hug Gilles Togo Atsushi, Chaput Laurent, Tanaka Isao, Hug Gilles A. Togo; L. Chaput; I. Tanaka; G. Hug First-principles phonon calculations of thermal expansion in Ti3SiC2, Ti3AlC2, and Ti3GeC2 First-principles phonon calculations of thermal expansion in Ti3SiC2, Ti3AlC2, and Ti3GeC2 First-principles phonon calculations of thermal expansion in Ti <sub>3</sub>SiC<sub>2</sub>, Ti<sub>3</sub>AlC<sub>2</sub>, and Ti <sub>3</sub>GeC<sub>2</sub> PHYSICAL REVIEW B, 81, 17 PHYSICAL REVIEW B, 81, 17 Physical Review B - Condensed Matter and Materials Physics, 81, 17 2010/05/01 公開
Tamada Yoshinori, Masuda Ryo, Togo Atsushi, Yamamoto Shinpei, Yoda Yoshitaka, Tanaka Isao, Seto Makoto, Nasu Saburo, Ono Teruo Tamada Yoshinori, Masuda Ryo, Togo Atsushi, Yamamoto Shinpei, Yoda Yoshitaka, Tanaka Isao, Seto Makoto, Nasu Saburo, Ono Teruo Y. Tamada; R. Masuda; A. Togo; S. Yamamoto; Y. Yoda; I. Tanaka; M. Seto; S. Nasu; T. Ono Anisotropic phonon density of states in FePt nanoparticles with L1(0) structure Anisotropic phonon density of states in FePt nanoparticles with L1(0) structure Anisotropic phonon density of states in FePt nanoparticles with L 10 structure PHYSICAL REVIEW B, 81, 13 PHYSICAL REVIEW B, 81, 13 Physical Review B - Condensed Matter and Materials Physics, 81, 13 2010/04/01 公開
Oba Fumiyasu, Togo Atsushi, Tanaka Isao, Watanabe Kenji, Taniguchi Takashi Oba Fumiyasu, Togo Atsushi, Tanaka Isao, Watanabe Kenji, Taniguchi Takashi F. Oba; A. Togo; I. Tanaka; K. Watanabe; T. Taniguchi Doping of hexagonal boron nitride via intercalation: A theoretical prediction Doping of hexagonal boron nitride via intercalation: A theoretical prediction Doping of hexagonal boron nitride via intercalation: A theoretical prediction PHYSICAL REVIEW B, 81, 7 PHYSICAL REVIEW B, 81, 7 Physical Review B - Condensed Matter and Materials Physics, 81, 7 2010/02 公開
Tanaka Isao, Togo Atsushi, Seko Atsuto, Oba Fumiyasu, Koyama Yukinori, Kuwabara Akihide Tanaka Isao, Togo Atsushi, Seko Atsuto, Oba Fumiyasu, Koyama Yukinori, Kuwabara Akihide I. Tanaka; A. Togo; A. Seko; F. Oba; Y. Koyama; A. Kuwabara Thermodynamics and structures of oxide crystals by a systematic set of first principles calculations Thermodynamics and structures of oxide crystals by a systematic set of first principles calculations Thermodynamics and structures of oxide crystals by a systematic set of first principles calculations JOURNAL OF MATERIALS CHEMISTRY, 20, 46, 10335-10344 JOURNAL OF MATERIALS CHEMISTRY, 20, 46, 10335-10344 Journal of Materials Chemistry, 20, 46, 10335-10344 2010 公開
Togo Atsushi, Kroll Peter Togo Atsushi, Kroll Peter A. Togo; P. Kroll First-principles lattice dynamics calculations of the phase boundary between beta-Si3N4 and gamma-Si3N4 at elevated temperatures and pressures First-principles lattice dynamics calculations of the phase boundary between beta-Si3N4 and gamma-Si3N4 at elevated temperatures and pressures First-principles lattice dynamics calculations of the phase boundary between β-Si<sub>3</sub>N<sub>4</sub> and γ-Si<sub>3</sub>N <sub>4</sub> at elevated temperatures and pressures JOURNAL OF COMPUTATIONAL CHEMISTRY, 29, 13, 2255-2259 JOURNAL OF COMPUTATIONAL CHEMISTRY, 29, 13, 2255-2259 Journal of Computational Chemistry, 29, 13, 2255-2259 2008/10 公開
Togo Atsushi, Oba Fumiyasu, Tanaka Isao Togo Atsushi, Oba Fumiyasu, Tanaka Isao A. Togo; F. Oba; I. Tanaka First-principles calculations of the ferroelastic transition between rutile-type and CaCl2-type SiO2 at high pressures First-principles calculations of the ferroelastic transition between rutile-type and CaCl2-type SiO2 at high pressures First-principles calculations of the ferroelastic transition between rutile-type and CaCl<sub>2</sub>-type SiO<sub>2</sub> at high pressures PHYSICAL REVIEW B, 78, 13 PHYSICAL REVIEW B, 78, 13 Physical Review B - Condensed Matter and Materials Physics, 78, 13 2008/10 公開
Oba Fumiyasu, Togo Atsushi, Tanaka Isao, Paier Joachim, Kresse Georg Oba Fumiyasu, Togo Atsushi, Tanaka Isao, Paier Joachim, Kresse Georg F. Oba; A. Togo; I. Tanaka; J. Paier; G. Kresse Defect energetics in ZnO: A hybrid Hartree-Fock density functional study Defect energetics in ZnO: A hybrid Hartree-Fock density functional study Defect energetics in ZnO: A hybrid Hartree-Fock density functional study PHYSICAL REVIEW B, 77, 24 PHYSICAL REVIEW B, 77, 24 Physical Review B - Condensed Matter and Materials Physics, 77, 24 2008/06 公開
Togo Atsushi, Oba Fumiyasu, Tanaka Isao Togo Atsushi, Oba Fumiyasu, Tanaka Isao A. Togo; F. Oba; I. Tanaka Transition pathway of CO2 crystals under high pressures Transition pathway of CO2 crystals under high pressures Transition pathway of C O2 crystals under high pressures PHYSICAL REVIEW B, 77, 18 PHYSICAL REVIEW B, 77, 18 Physical Review B - Condensed Matter and Materials Physics, 77, 18 2008/05 公開
Seko Atsuto, Togo Atsushi, Oba Fumiyasu, Tanaka Isao Seko Atsuto, Togo Atsushi, Oba Fumiyasu, Tanaka Isao A. Seko; A. Togo; F. Oba; I. Tanaka Structure and stability of a homologous series of tin oxides Structure and stability of a homologous series of tin oxides Structure and stability of a homologous series of tin oxides PHYSICAL REVIEW LETTERS, 100, 4 PHYSICAL REVIEW LETTERS, 100, 4 Physical Review Letters, 100, 4 2008/02/01 公開
A. Togo; F. Oba; I. Tanaka; K. Tatsumi A. Togo; F. Oba; I. Tanaka; K. Tatsumi First-principles calculations of native defects in tin monoxide First-principles calculations of native defects in tin monoxide Physical Review B - Condensed Matter and Materials Physics, 74, 19 , 74, 19 Physical Review B - Condensed Matter and Materials Physics, 74, 19 2006 英語 公開
A. Togo; I. Tanaka; K. Murase; T. Yamamoto; T. Suga; E. Matsubara A. Togo; I. Tanaka; K. Murase; T. Yamamoto; T. Suga; E. Matsubara Atomic and electronic structures of hydrated polymolybdates by first principles calculations Atomic and electronic structures of hydrated polymolybdates by first principles calculations Materials Transactions, 45, 7, 1982-1986 , 45, 7, 1982-1986 Materials Transactions, 45, 7, 1982-1986 2004/07 英語 公開

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外部資金:競争的資金・科学研究費補助金
種別 代表/分担 テーマ(日本語) テーマ(英語) 期間
若手研究(B) 代表 格子熱伝導過程におけるフォノンの集団的振る舞いの解明 (平成26年度分) 2014/04/01〜2015/03/31