Development and application of the order-N full-potential KKR-Green's function method

• Project/Area Number: 17064008
• Research Category: Grant-in-Aid for Scientific Research on Priority Areas
• Allocation Type: Single-year Grants
• Review Section: Science and Engineering
• Research Institution: Osaka University
• Principal Investigator: AKAI Hisazumi Osaka University, 大学院・理学研究科, 教授 (70124873)
• Co-Investigator(Kenkyū-buntansha): OGURA Masako 大阪大学, 大学院・理学研究科, 助教 (30397640) ; HIRAI Kunitomo 奈良県立医科大学, 医学部, 教授 (60156627)
• Project Period (FY): 2005 – 2008
• Project Status: Completed (Fiscal Year 2008)
• Budget Amount: ¥41,100,000 (Direct Cost: ¥41,100,000); Fiscal Year 2008: ¥7,400,000 (Direct Cost: ¥7,400,000); Fiscal Year 2007: ¥11,500,000 (Direct Cost: ¥11,500,000); Fiscal Year 2006: ¥11,500,000 (Direct Cost: ¥11,500,000); Fiscal Year 2005: ¥10,700,000 (Direct Cost: ¥10,700,000)
• Keywords: 計算機マテリアルデザイン / 第一原理電子状態計算 / オーダーN法 / フルポテンシャルKKR法 / 量子シミュレーション / 量子デザイン / 反強磁性ハーフメタル / ショットキー障壁 / 輪送現象 / 計算物理 / フルポテンシャル KKR 法 / 希薄反強磁性半導体 / 輸送現象 / 希薄反磁性半導体 / フルポテンシャルKKR / 遮蔽KKR法

Research Abstract

KKRグリーン関数法にもとづくフルポテンシャル・オーダーN法とその計算機コードを開発し、これまで取り扱いが困難であった大規模系の高精度なフルポテンシャル計算および大規模不規則系に対するコヒーレントポテンシャル近似の適用を可能にした。この研究によって100層程度の厚さを持つ薄膜の第一原理フルポテンシャル計算や10000層程度までのマフィンティンポテンシャル模型に対する計算を実施し、大規模系に対する新しい知見を得るとともに、新材料、新デバイスのデザインを行なった。

Research Products

• [Journal Article] Seebeck coefficient calculated by Kubo-Greenwood formula on the basis of density functional theory (2009)
  • Author(s): M. Oshita, S. Yotsuhashi. H. Adachi, and H. Akai
  • Journal Title: J. Phys. Soc. Jpn 78
  • NAID: 110007097870
  • Peer Reviewed
• [Journal Article] A relativisitc optimized potential method for solids implemented within the multiple scattering KKR method (2009)
  • Author(s): H. Ebert, D Koedderitzsch, and H. Akai
  • Journal Title: J. Phys. C: Condensed Matter 21
  • Peer Reviewed
• [Journal Article] Monte Carlo simu- lations of diluted magnetic semiconductors using ab-initio exchange parameters (2009)
  • Author(s): A. Fucht, S.K. Nayak, M. Ogura, H. Akai, and P. Entel
  • Journal Title: J. Phys. C : Condensed Matter 21
  • Peer Reviewed
• [Journal Article] New type of half-metallic antiferromagnets : Transition metal pnictides (2009)
  • Author(s): N H Long, M. Ogura and H. Akai
  • Journal Title: J. Phys. C : Condensed Matter 21
  • Peer Reviewed
• [Journal Article] New type of half-metallic antiferromagnets : Transition metal pnictides (2009)
  • Author(s): N H Long, M. Ogura, and H. Akai
  • Journal Title: Joournal of Physics : Condens Matter 21
  • Peer Reviewed
• [Journal Article] A relativisitc optimized potential method for solids implemented within the muliple scattering KKR method (2009)
  • Author(s): D. Koedderitzsch, H. Ebert, H. Akai, and E. Engel
  • Journal Title: J. Phys. C : Condensed Matter 21
  • Peer Reviewed
• [Journal Article] Monte Carlo simulations of diluted magnetic semiconductors using ab initio exchange parameters (2009)
  • Author(s): S. K. Nayak, M. Ogura, A. Fucht, H Akai, and P. Entel
  • Journal Title: J. Phys. C : Condensed Matter 21
  • Peer Reviewed
• [Journal Article] Abinitio simulations of diluted magnetic semiconductors: cobalt-doped zinc oxide (2008)
  • Author(s): S. K. Nayak, M. Ogura, A. Hucht, S. Buschmann, H. Akai, and P. Entel
  • Journal Title: Phys. Stat. Solidi a 205 Pages: 1839-1846
  • Peer Reviewed
• [Journal Article] Monte Carlo study of the influence of antiferromagnetic exchange interactions on the phase transitions of ferromagnetic Ni-Mn-X alloys (X =In, Sn, Sb) (2008)
  • Author(s): V. D. Buchelnikov, P. Entel, S. V. Taskaev, V. V. Sokolovsky, A. Hucht, M. Ogura, H. Akai, M. E. Gruner, and S.K. Nayak
  • Journal Title: Phys. Rev. B 78
  • Peer Reviewed
• [Journal Article] Manipulation of Nuclear Spin in interfaces of diluted magnetic semiconductors (2008)
  • Author(s): M. Ogura and H. Akai
  • Journal Title: e-Journal of Surface Science and Nanotechnology 6 Pages: 7-10
  • Peer Reviewed
• [Journal Article] Manipulation of Nuclear Spins in Interfaces of Diluted Magnetic Semiconductors (2008)
  • Author(s): M. Ogura and H. Akai
  • Journal Title: e-Joumal of Surface Science and Nanotechnology 6 Pages: 7-10
  • Peer Reviewed
• [Journal Article] Monte Carlo study of the influence of antiferromagnetic exchange interactions on the phase trantitions of ferromagnetic Ni-Mn-X alloys(X=In, Sn, Sb) (2008)
  • Author(s): V. D. Buchelnikov, P. Entel, S.V. Taskaev, V.V. Sokolovskiy, A. Hucht, Ogura, H. Akai, M. Gruner and S. K. Nayak
  • Journal Title: Phys. Rev. B 78 78
  • Peer Reviewed
• [Journal Article] Ab initio simulations of diluted magnetic semiconductors : cobalt-doped zinc oxide (2008)
  • Author(s): S. K. Nayak, M. Ogura, A. Hucht, S. Buschmann, H. Akai, and P. Entel
  • Journal Title: Phys. Stat. Solidi a 205 Pages: 1839-1846
  • Peer Reviewed
• [Journal Article] Temperature dependence of Knigh shifts for 12 B in Pt (2007)
  • Author(s): M. Mihara, K. Matusta, S. Kumashiro, M. Fukuda, S. Kosakai, Y. Umemoto, M. Yoshikawa, F. Nishimura, J. Kumasaki, D. Ishikawa, M. Ogura, H. Akai, and T. Minamisono
  • Journal Title: Hyperfine Interactions 178 Pages: 73-77
  • Peer Reviewed
• [Journal Article] Nuclear Spin Manipulation in interfaces of diluted magnetic semiconductors (2007)
  • Author(s): M. Ogura and H. Akai
  • Journal Title: Hyperfine Interactions 176 Pages: 59-63
  • Peer Reviewed
• [Journal Article] Hyperfine interaction of half-metallic diluted antiferromagnetic semiconductors (2007)
  • Author(s): H. Akai and M. Ogura
  • Journal Title: Hyperfine Interactions 176 Pages: 21-25
  • Peer Reviewed
• [Journal Article] Electricfield-driven nuclear spin control using diluted magnetic semiconductors (2007)
  • Author(s): M. Ogura and H. Akai
  • Journal Title: Appl. Phys. Lett. 91
  • Peer Reviewed
• [Journal Article] Ab-initio calculation of electronic structure and magnetic properties of Mn_<1-x>Cr_xTe (2007)
  • Author(s): N. H. Long and H. Akai
  • Journal Title: J. Supercond. Nov. Magn. 20 Pages: 473-378
• [Journal Article] Ab initio modeling of maetensitic transformations (MT) in magnetic shape memory alloys (2007)
  • Author(s): P. Entel, M.E. Gruner, W.A. Adegbo, V.-J, Eklund, A.T. Nayak, H. Akai and M. Acet
  • Journal Title: J. Magn. Magn. Mater 310 Pages: 2761-2763
  • Peer Reviewed
• [Journal Article] Calculated transport properties of half-metallic diluted antiferromagnetic semiconductors (2007)
  • Author(s): H. Akai and M. Ogura
  • Journal Title: Journal of Physics D : Applied Physics 40 Pages: 1238-1241
  • Peer Reviewed
• [Journal Article] Firstprinciples KKR-CPA calculation of interaction between concentration fluctuations (2007)
  • Author(s): N. H. Long and H. Akai
  • Journal Title: Journal of Physics : Condens. Matter 19
  • Peer Reviewed
• [Journal Article] First-principles calculation of the Curie temperature Slater-Pauling curve (2007)
  • Author(s): C. Takahashi, M. Ogura and H. Akai
  • Journal Title: Journal of Physics : Condens. Matter 19
  • Peer Reviewed
• [Journal Article] Magnetic Properties of 3d Pyrite-type Mixed Crystals Calculated by the Full-Potential KKR-CPA Method (2007)
  • Author(s): M. Ogura and H. Akai
  • Journal Title: Journal of Physics : Condens. Matter 19
  • Peer Reviewed
• [Journal Article] Calculated electronic structures and Neel temperatures of half-metallic diluted antiferromagnetic semiconductors (2007)
  • Author(s): M. Ogura, C. Takahashi and H. Akai
  • Journal Title: Journal of Physics: Condens. Matter 19
  • Peer Reviewed
• [Journal Article] Calculated electronic structures and Neel temperatures of half-metallic diluted antiferromaetic semiconductors (2007)
  • Author(s): M., Ogura・C., Takahashi・H., Akai
  • Journal Title: Joournal of Physics: Condens. Matter 19
  • Peer Reviewed
• [Journal Article] Magnetic Properties of 3d Pyrite-type Mixed Crystals Calculated by the Full-Potential (2007)
  • Author(s): M., Ogura・H., Akai
  • Journal Title: Journal of Physics: Condens. Matter 19
  • Peer Reviewed
• [Journal Article] First-principles calculation of the Curie temperature Slater?Pauling curve (2007)
  • Author(s): C., Takahashi・M., Ogura・H., Akai
  • Journal Title: Journal of Physics: Condens. Matter 19
  • Peer Reviewed
• [Journal Article] First-principles calculation of the Curie temperature Slater-Pauling curve (2007)
  • Author(s): C.Takahashi, M.Ogura, H.Ahai
  • Journal Title: Journal of Physics : Condensed Matter (in press)
• [Journal Article] Calculated transport properties of half-metallic diluted antiferromagnetic semiconductors (2007)
  • Author(s): H.Akai, M.Ogura
  • Journal Title: Journal of Physics D : Applied Physics 40 Pages: 1238-1241
• [Journal Article] Magnetic Properties of 3d Pyrite-type Mixed Crystals Calculated by the Full-Potential KKR-CPA Method (2007)
  • Author(s): M.Ogura, H.Akai
  • Journal Title: Journal of Physics : Condensed Matter (in press)
• [Journal Article] First-principles KKR-CPA calculation of interaction between concentration fluctuations (2007)
  • Author(s): N.H.Long, H.Akai
  • Journal Title: Journal of Physics : Condensed Matter (in press)
• [Journal Article] Half-Metallic Diluted Antiferromagnetic Semiconductors (2006)
  • Author(s): M. Ogura, Y. Hashimoto and H. Akai
  • Journal Title: Physica Status Solidi C 3 Pages: 4160-4163
  • Peer Reviewed
• [Journal Article] Half-metallic diluted antiferromagnetic semiconductors (2006)
  • Author(s): H. Akai and M. Ogura
  • Journal Title: Phys. Rev. Lett. 97
  • Peer Reviewed
• [Journal Article] Electronic structures of (Zn,TM)O (TM : V, Cr, Mn, Fe, Co, and Ni) in the self-interaction-corrected calculations (2006)
  • Author(s): M. Toyoda, H. Akai, K. Sato, H. Katayama-Yoshida
  • Journal Title: Physica B 376-377 Pages: 647-650
  • Peer Reviewed
• [Journal Article] Full-potential Korringa-Kohn-Rostoker method and its application to electric field gradient calculation (2006)
  • Author(s): M. Ogura and H. Akai
  • Journal Title: J. Phys. : Condense. Matter 17 Pages: 5741-5755
  • Peer Reviewed
• [Journal Article] Electronic structures of (Zn, TM)O (TM : V, Cr, Mn, Fe, Co, and Ni) in the self-interaction-corrected calculations (2006)
  • Author(s): M.Toyoda, H.Akai, K.Sato, H.Katayama-Yoshida
  • Journal Title: Physica B 376-377 Pages: 647-650
• [Journal Article] Full-potential Korringa-Kohn-Rostoker method and tis application to electric field gradient calculation (2005)
  • Author(s): M.Ogura, H.Akai
  • Journal Title: J.Phys. : Condense. Matter 17 Pages: 5741-5755
• [Journal Article] Electric field gradients of fluorides calculated by the full potential KKR Green's function method (2005)
  • Author(s): M.Ogura, H.Akai, T.Minamisono
  • Journal Title: Hyperfine Interact. 158 Pages: 95-98
• [Journal Article] Hyperfine interactions of short-lived emitters in Pd (2005)
  • Author(s): M.Mihara, S.Kumashiro, K.Matsuta, Y.Nakashima, H.Fujiwara, Y.N.Zheng, M.Ogura, H.Akai, M.Fukuda, T.Minamisono
  • Journal Title: Hyperfine Interact. 158 Pages: 361-364
• [Presentation] Au(111)表面上におけるMn合金の低温走査トンネル分光測定 (2009)
  • Author(s): 三島良太, 高田正基, Wilson Agerico Dino, 夛田博一, 赤井久純
  • Organizer: 日本物理学会第64回年次大会
  • Place of Presentation: 立教大学
  • Year and Date: 2009-03-30
• [Presentation] KKR-Green関数法による光学伝導度の第一 原理計算 (2009)
  • Author(s): 斎藤涼介, 小倉昌子, 赤井久純
  • Organizer: 日本物理学会第64回年次大会
  • Place of Presentation: 立教大学
  • Year and Date: 2009-03-28
• [Presentation] 遮蔽グリーン関数法による伝導率計算 (2009)
  • Author(s): 永田徹哉, 四橋聡史, 赤井久純
  • Organizer: 日本物理学会第64回年次大会
  • Place of Presentation: 立教大学
  • Year and Date: 2009-03-28
• [Presentation] 遷移金属合金の結晶磁気異方性の第一原理計算 (2009)
  • Author(s): 小倉昌子, 赤井久純
  • Organizer: 日本物理学会第64回年次大会
  • Place of Presentation: 立教大学
  • Year and Date: 2009-03-28
• [Presentation] (Y_<1-x>Lu_x)Mn_2(x=0〜0.05)の電子状態と磁性 (2009)
  • Author(s): 岩崎将, 深澤太郎, 赤井久純
  • Organizer: 日本物理学会第64回年次大会
  • Place of Presentation: 立教大学
  • Year and Date: 2009-03-28
• [Presentation] KKR-Green関数法による光学伝導度の第一原理計算 (2009)
  • Author(s): 斎藤涼介, 小倉昌子, 赤井久純
  • Organizer: 日本物理学会第64回年次大会
  • Place of Presentation: 立教大学
  • Year and Date: 2009-03-28
• [Presentation] 永久磁石Sm2Fe17N3への不純物添加効果の第一原理計算 (2009)
  • Author(s): 増山綾香, 小倉昌子, 赤井久純
  • Organizer: 日本物理学会第64回年次大会
  • Place of Presentation: 立教大学
  • Year and Date: 2009-03-27
• [Presentation] Ni(S_<1-x>Se_x)2_の金属絶縁体転移近傍の電子状態と反強磁性 (2009)
  • Author(s): 赤井久純, 小倉昌子
  • Organizer: 日本物理学会第64 回年次大会
  • Place of Presentation: 立教大学
  • Year and Date: 2009-03-27
• [Presentation] Ni(S_<1-x>Se_x)_2の金属絶縁体転移近傍の電子状態と反強磁性 (2009)
  • Author(s): 赤井久純, 小倉昌子
  • Organizer: 日本物理学会第64回年次大会
  • Place of Presentation: 立教大学
  • Year and Date: 2009-03-27
• [Presentation] Computational nano-materials design and its application to spintronics (2009)
  • Author(s): H. Akai and M. Ogura
  • Organizer: Japan-Germany Joint Workshop 2009 Nanoelectronics
  • Place of Presentation: Kyoto
• [Presentation] Order-N fullpotential KKR method and its application to layered systems (2009)
  • Author(s): H. Akai and M. Ogura
  • Organizer: SciSSP2009 Workshop
  • Place of Presentation: Kashiwa, Japan
• [Presentation] First-Principles Calculation of Spin Transport (2008)
  • Author(s): H. Akai and M. Ogura
  • Organizer: 23rd Nishinomiya-Yukawa Memorial International Workshop(Spin Transport in Condensed Matter)
  • Place of Presentation: 京都大学基礎物理学研究所(京都)(invited)
  • Year and Date: 2008-11-05
• [Presentation] First-principles calculation of spin transport(invited) (2008)
  • Author(s): M. Ogura and H. Akai
  • Organizer: 4th Handai Nanoscience and Nanotechnology International Symposium
  • Place of Presentation: 大阪大学シグマホール(豊中市)
  • Year and Date: 2008-10-01
• [Presentation] YMn_2及びY_<0.96>Lu_<0.04>Mn_2の共鳴X線発光分光 (2008)
  • Author(s): 山岡人志, 辻井直人, 赤井久純, Ignace Jarrige, 高橋慶紀, 大橋浩史, 野本大介, 半田克己, 井出純子, 熱田英紀, 栃尾達紀, 伊藤嘉, 吉川英樹
  • Organizer: 日本物理学会秋の分科会
  • Place of Presentation: 岩手大学
  • Year and Date: 2008-09-21
• [Presentation] Charge and spin transports(oral) (2008)
  • Author(s): H. Akai and M. Ogura
  • Organizer: KKR workshop
  • Place of Presentation: Lucca(Italy)
  • Year and Date: 2008-09-16
• [Presentation] Computational materials design(plenary talk) (2008)
  • Author(s): H. Akai and M. Ogura
  • Organizer: FCFP-XVIII and-NMS-IV
  • Place of Presentation: Zhenjiang(China)
  • Year and Date: 2008-09-16
• [Presentation] Development of Quantum Simulators(oral) (2008)
  • Author(s): H. Akai
  • Organizer: 1st Asia CMD Workshop and DLSU-OU Workshop
  • Place of Presentation: Manila(Philippine)
  • Year and Date: 2008-09-02
• [Presentation] Development of quantum simulators(oral) (2008)
  • Author(s): H. Akai
  • Organizer: Asia CMD Workshop
  • Place of Presentation: Bandung(Indonesia)
  • Year and Date: 2008-08-06
• [Presentation] Calculation of spin transport using the KKR Kubo-Greenwood formula(oral) (2008)
  • Author(s): H. Akai and M. Ogura
  • Organizer: International Conference on Quantum Simulators and Design 2008
  • Place of Presentation: Canterbury(England)
  • Year and Date: 2008-07-05
• [Presentation] Full potential screened KKR method (2008)
  • Author(s): M. Ogura and H. Akai
  • Organizer: International Conference on Quantum Simulators and Design 2008
  • Place of Presentation: 日本科学未来館丁(東京)
  • Year and Date: 2008-06-02
• [Presentation] A relativistic optimized potential method far solids implemented within the multiple scattering KKR method (2008)
  • Author(s): H. Ebert, D. Koedderitzsch, and H. Akai
  • Organizer: International Conference on Quantum Simulators and Design 2008
  • Place of Presentation: 日本科学未来館(東京)
  • Year and Date: 2008-06-02
• [Presentation] An effective approximate method of determining optimized effective potentials for extended systems (2008)
  • Author(s): T. Fukazawa and H. Akai
  • Organizer: International Conference on Quantum Simulators and Design 2008
  • Place of Presentation: 日本科学未来館(東京)
  • Year and Date: 2008-06-02
• [Presentation] Monte Cairo simulations of diluted magnetic semiconductors using ab initio excahnge parameters (2008)
  • Author(s): A. Hucht, S.K. Nayak, M. Ogura, H. Akai and P. Entel
  • Organizer: International Conference on Quantum Simulators and Design 2008
  • Place of Presentation: 日本科学未来館(東京)
  • Year and Date: 2008-06-02
• [Presentation] Design of new type of half-metallic antiferromagnets (2008)
  • Author(s): N H Long, M Ogura and H Akai
  • Organizer: International Conference on Quantum Simulators and Design 2008
  • Place of Presentation: 日本科学未来館(東京)
  • Year and Date: 2008-06-01
• [Presentation] Charge and spin transports in GMR structures(Oral) (2008)
  • Author(s): M. Ogura and H. Akai
  • Organizer: International Conference on Quantum Simulators and Design 2008
  • Place of Presentation: 日本科学未来館(東京)
  • Year and Date: 2008-06-01
• [Presentation] Theory of electronic structure and hyperfine interactions (2008)
  • Author(s): H. Akai and M. Ogura
  • Organizer: Sakura-Workshop
  • Place of Presentation: 理研(和光市)(invited)
  • Year and Date: 2008-04-01
• [Presentation] Manipulation of Nuclear Spins in Interfaces of Diluted Magnetic (2008)
  • Author(s): M. Ogura and H. Akai
  • Organizer: Sakura-Workshop
  • Place of Presentation: 理研(和光市)
  • Year and Date: 2008-04-01
• [Presentation] オーダーNグリーン関数法と半導体へテロ界面を用いた核スピン操作 (2008)
  • Author(s): 赤井久純, 小倉昌子
  • Organizer: ナノ統合「次世代ナノ磁性」研究会
  • Place of Presentation: 神戸市ホテルプラザ北野
  • Year and Date: 2008-03-27
• [Presentation] パイライト型遷移金属カルコゲナイドの電子状態と磁性 (2008)
  • Author(s): 岡田みゆき, 小倉昌子, 赤井久純
  • Organizer: 日本物理学会63回年次大会
  • Place of Presentation: 近畿大学
  • Year and Date: 2008-03-26
• [Presentation] A new type of half-metallic antiferromagnets (2008)
  • Author(s): N. H. Long, M. Ogura, and H. Akai
  • Organizer: 日本物理学会63回年次大会
  • Place of Presentation: 近畿大学
  • Year and Date: 2008-03-24
• [Presentation] スピン流を含む伝導率の第一原理計算 (2008)
  • Author(s): 小倉昌子、赤井久純、Peter Entel
  • Organizer: 日本物理学会63回年次大会
  • Place of Presentation: 近畿大学
  • Year and Date: 2008-03-23
• [Presentation] 最適化有効ポテンシャル法を用いた第一原理電子状態計算手法 (2008)
  • Author(s): 深沢太郎、赤井久純,
  • Organizer: 日本物理学会63回年次大会
  • Place of Presentation: 近畿大学
  • Year and Date: 2008-03-23
• [Presentation] スピン輸送の第一原理計算 (2008)
  • Author(s): 赤井久純, 小倉昌子
  • Organizer: 特定領域「量子デザイン」研究会
  • Place of Presentation: 国際高等研究所
  • Year and Date: 2008-03-18
• [Presentation] Computational nano-materials design and its application to spintronics (2008)
  • Author(s): H. Akai and M. Ogura
  • Organizer: Japan-Germany Joint Workshop 2009 Nanoelectronics
  • Place of Presentation: からすま京都ホテル(京都)(invited)
  • Year and Date: 2008-01-23
• [Presentation] Order-N full-potential KKR method and its application to layered systems (2008)
  • Author(s): H. Akai and M. Ogura
  • Organizer: SciSSO2009 Workshop
  • Place of Presentation: 東京大学物性研究所(柏市)(invited)
  • Year and Date: 2008-01-19
• [Presentation] Electric-fielddriven nuclear spin control using diluted magnetic semiconductors (2008)
  • Author(s): H. Akai and M. Ogura
  • Organizer: 次世代ナノ統合シミュレーションソフトウェアの研究開発第2回公開シンポジウム
  • Place of Presentation: 岡崎コンファレンスセンター
• [Presentation] Screened KKR calculation for slabs of micron-order thickness (2008)
  • Author(s): H. Akai and M. Ogura
  • Organizer: 次世代ナノ統合シミュレーションソフトウェアの研究開発 第2回公開シンポジウム
  • Place of Presentation: 岡崎コンファレンスセンター
• [Presentation] Theory of electronic structure and hyperfine interactions (2008)
  • Author(s): H. Akai and M. Ogura
  • Organizer: Sakura-Workshop
  • Place of Presentation: Riken, Wakoh, Japan
• [Presentation] Manipulation of Nuclear Spins in Interfaces of Diluted Magnetic Semiconductors (2008)
  • Author(s): M. Ogura and H. Akai
  • Organizer: Sakura- Workshop
  • Place of Presentation: Riken, Wakoh, Japan
• [Presentation] Design of new type of half-metallic antiferromagnets (2008)
  • Author(s): N. H. Long, M. Ogura and H. Akai
  • Organizer: International Conference on Quantum Simulators and Design 2008
  • Place of Presentation: Tokyo
• [Presentation] Charge and spin transports in GMR structures (2008)
  • Author(s): M. Ogura and H. Akai
  • Organizer: International Conference on Quantum Simulators and Design 2008
  • Place of Presentation: Tokyo
• [Presentation] Full potential screened KKR method (2008)
  • Author(s): M. Ogura and H. Akai
  • Organizer: International Conference on Quantum Simulators and Design 2008
  • Place of Presentation: Tokyo
• [Presentation] A relativistic optimized potential method for solids implemented within the multiple scattering KKR method (2008)
  • Author(s): H. Ebert, D. Koedderitzsch, and H. Akai
  • Organizer: International Conference on Quantum Simulators and Design 2008
  • Place of Presentation: Tokyo
• [Presentation] An effective approximate method of determining optimized effective potentials for extended systems (2008)
  • Author(s): T. Fukazawa and H. Akai
  • Organizer: International Conference on Quan- tum Simulators and Design 2008
  • Place of Presentation: Tokyo
• [Presentation] First principles calculation of GMR and TMR effects of half-metallic systems (2008)
  • Author(s): N.H. Long, M. Ogura and H. Akai
  • Organizer: International Conference on Quantum Simulators and Design 2008
  • Place of Presentation: Tokyo
• [Presentation] Monte Calro simulations of diluted magnetic semiconductors using ab initio excahnge parameters (2008)
  • Author(s): A. Hucht, S.K. Nayak, M. Ogura, H. Akai and P. Entel
  • Organizer: International Conference on Quantum Simulators and Design 2008
  • Place of Presentation: Tokyo
• [Presentation] Calculation of spin transport using the KKR Kubo-Greenwood formula (2008)
  • Author(s): H. Akai and M. Ogura
  • Organizer: KKR workshop, Canterbury
  • Place of Presentation: England
• [Presentation] Charge and spin transports (2008)
  • Author(s): H. Akai and M. Ogura
  • Organizer: KKR workshop
  • Place of Presentation: Lucca, Italy
• [Presentation] First-principles calculation of spin transport (2008)
  • Author(s): M. Ogura and H. Akai
  • Organizer: 4th Handai Nanoscience and Nanotechnology International Symposium
  • Place of Presentation: Osaka
• [Presentation] Computational materials design (2008)
  • Author(s): H. Akai and M. Ogura
  • Organizer: FCFP-XVIII and NMS-IV
  • Place of Presentation: Zhenjiang, China
• [Presentation] First-Principles Calculation of Spin Transport (2008)
  • Author(s): H. Akai and M. Ogura
  • Organizer: 23rd Nishinomiya-Yukawa Memorial International Workshop (Spin Transport in Condensed Matter)
  • Place of Presentation: Kyoto, Japan
• [Presentation] 計算機マテリアリデザインと未知の探求 (基調講演) (2007)
  • Author(s): H., Akai
  • Organizer: 福井謙一記念研究センターシポジウム
  • Place of Presentation: 福井謙一記念研究センター
  • Year and Date: 2007-12-13
• [Presentation] Half-metallic antiferromagnets and their transport properties (Invited) (2007)
  • Author(s): H., Akai・M., Ogura
  • Organizer: The XXXI International Workshop on Condensed Matter Theories
  • Place of Presentation: バンコック (タイ)
  • Year and Date: 2007-12-05
• [Presentation] Magnetic and electric properties of pyrite-type transition metal dichalcogenides (2007)
  • Author(s): M., Okada・M., Ogura・H., Akai
  • Organizer: The 10th Asian Workshop on First Principles Electronic Structure Calculatons
  • Place of Presentation: 広島大学
  • Year and Date: 2007-10-29
• [Presentation] Manipulation of Nuclear Spins in Interfaces of Diluted Magnetic Semiconductors (2007)
  • Author(s): M., Ogura・H., Akai
  • Organizer: Handai Nanoscience and Nanotechnology International Symposium
  • Place of Presentation: 大阪大学Σホール
  • Year and Date: 2007-09-27
• [Presentation] パイライト型化合物の第一原理計算 (2007)
  • Author(s): 小倉昌子, 岡田みゆき, 赤井久純
  • Organizer: 日本物理学会年会
  • Place of Presentation: 北海道大学
  • Year and Date: 2007-09-21
• [Presentation] 反強磁性ドメイン境界と電子輸送 (2007)
  • Author(s): 赤井久純, 小倉昌子, 永田徹哉, 斎藤涼介
  • Organizer: 日本物理学会年会
  • Place of Presentation: 北海道大学
  • Year and Date: 2007-09-21
• [Presentation] Manipulation of Nuclear Spins in Interfaces of Diluted Magnetic Semiconductors (2007)
  • Author(s): M., Ogura・H., Akai
  • Organizer: XIV Interantional Conference on Hyperfine Interactions
  • Place of Presentation: イグアスフォールズ (ブラジル)
  • Year and Date: 2007-08-07
• [Presentation] Hyperfine Interactions of Half-Metallic Diluted Antiferromagnetic Semiconductors (Oral) (2007)
  • Author(s): H., Akai・M., Ogura
  • Organizer: XIV Interantional Conference on Hyperfine Interactions
  • Place of Presentation: イグアスフォールズ (ブラジル)
  • Year and Date: 2007-08-06
• [Presentation] Exact Exchange Method Applied to Diluted Magnetic Semiconductors (invited) (2007)
  • Author(s): H., Akai
  • Organizer: Internataioal Symposium on Foundations and Applications of the Density Functional Theory
  • Place of Presentation: 東京大物性研究所
  • Year and Date: 2007-08-01
• [Presentation] Green's function method and its application to first-principles calculation of electric transport phenomena (Invited) (2007)
  • Author(s): H., Akai
  • Organizer: International Workshop on Foundations and Applications of the Density Functional Theory
  • Place of Presentation: 東京大物性研究所
  • Year and Date: 2007-07-25
• [Presentation] Transport properties of half-metallic antiferromagnetic semiconductors (Oral) (2007)
  • Author(s): H., Akai・M., Ogura
  • Organizer: International conference on Nanospintronic Design and Realization 2007
  • Place of Presentation: ドレスデン (ドイツ)
  • Year and Date: 2007-05-21
• [Presentation] First principles calculation of the magnetic and transport properties of La_1-xCa_xMnO_3 (2007)
  • Author(s): M., Ogura・H., Akai
  • Organizer: International conference on Nanospintronic Design and Realization 2007
  • Place of Presentation: ドレスデン (ドイツ)
  • Year and Date: 2007-05-21
• [Presentation] Green's function method in electronid-structure calculation (invited) (2007)
  • Author(s): H., Akai
  • Organizer: Spring Course Semiconducting Nanoparticles:Synthesis and Structure
  • Place of Presentation: デュイスプルグ (ドイツ)
  • Year and Date: 2007-05-10
• [Presentation] Half-metallic antiferromagnets diluted semiconductors and their transport properties (Invited) (2007)
  • Author(s): H., Akai・M., Ogura
  • Organizer: Third international Workshop on DFT applied to metals and alloys
  • Place of Presentation: オラン (アルジェリア)
  • Year and Date: 2007-05-02
• [Presentation] Half-metallic antiferromagnetic diluted semiconductors and their transport properties (2007)
  • Author(s): H. Akai and M. Ogura
  • Organizer: Third International Workshop on DFT applied to metals and alloys
  • Place of Presentation: Oran, Algeria
• [Presentation] Green's function method in electronic structure calculation (2007)
  • Author(s): H. Akai
  • Organizer: Spring Course Semiconducting Nanoparticles: Synthesis and Structure
  • Place of Presentation: Duisburg, Germany
• [Presentation] Transport properties of half-metallic antiferromagnetic semiconductors (2007)
  • Author(s): H. Akai and M. Ogura
  • Organizer: International conference on Nanospintronic Design and Realization 2007
  • Place of Presentation: Dresden, Germany
• [Presentation] First principles calculation of the magnetic and transport properties of La_<1-x>Ca_xMnO_3 (2007)
  • Author(s): M. Ogura
  • Organizer: International conference on Nanospintronic Design and Realization 2007
  • Place of Presentation: Dresden, Germany
• [Presentation] ハーフメタリック反強磁性半導体系の輸送現象 (2007)
  • Author(s): 赤井久純, 小倉昌子
  • Organizer: ナノ情報機能・材料 成果報告会
  • Place of Presentation: 東京大学小柴ホール
• [Presentation] オーダーN・KKR法による多層膜のシミュレーション (2007)
  • Author(s): 赤井久純
  • Organizer: ミニワークショップ「大規模・高精度電子状態計算手法に関する研究会」
  • Place of Presentation: 物質・材料研究機構並木共同研究棟4階大ゼミナール室
• [Presentation] フルポテンシャルKKR法の開発の現状 (2007)
  • Author(s): 小倉昌子
  • Organizer: 大規模・高精度電子状態計算手法に関する研究会
  • Place of Presentation: 物質・材料研究機構並木共同研究棟4階大ゼミナール室
• [Presentation] Green's function method and its application to first-principles calculation of electric transport phenomena (2007)
  • Author(s): H. Akai
  • Organizer: International Workshop on Foundations and Applications of the Density Functional Theory
  • Place of Presentation: ISSP, Tokyo
• [Presentation] Exact Exchange Method Applied to Diluted Magnetic Semicon- ductors (2007)
  • Author(s): H. Akai
  • Organizer: International Symposium on Foundations and Applications of the Density Functional Theory
  • Place of Presentation: ISSP, Tokyo
• [Presentation] Hyperfine Interactions of Half-Metallic Diluted Antiferromagnetic Semiconductors (2007)
  • Author(s): H. Akai and M. Ogura
  • Organizer: Hyperfine Interactions of Half-Metallic Diluted Antiferromagnetic Semiconductors,
  • Place of Presentation: Iguazu Falls, Brazil
• [Presentation] Manipulation of Nuclear Spins in Interfaces of Diluted Magnetic Semicondoctors (2007)
  • Author(s): M. Ogura and H. Akai
  • Organizer: XIV International Conference on Hyperfine Interactions & XVIII International Symposium on Nuclear Quadrupole Interactions
  • Place of Presentation: Iguazu Falls, Brazil
• [Presentation] Manipulation of Nuclear Spins in Interfaces of Diluted Magnetic Semicon- doctors (2007)
  • Author(s): M. Ogura and H. Akai
  • Organizer: Handai Nanoscience and Nanotechnology International Symposium
  • Place of Presentation: Osaka University
• [Presentation] Development of quantum simulators
  • Author(s): H. Akai
  • Organizer: Asia CMD Workshop
  • Place of Presentation: Indonesia
• [Presentation] Development of Quantum Simulators
  • Author(s): H. Akai
  • Organizer: 1st Asia CMD Workshop and DLSU-OU Workshop
  • Place of Presentation: Manila, Philippine
• [Book] Journal of Physics: Condensed Matter Special Issue: International Conference on Quantum Simulators and Design 2008 (2009)
  • Author(s): H. Akai and S. Tsuneyuki (Edis.)
  • Publisher: IOP Publishing
• [Book] Journal of Physics : Condensed Matter Special Issue : International Conference on Quantum Simulators and Design (2009)
  • Author(s): H. Akai and S. Tsuneyuki(Edis)
  • Total Pages: 300
  • Publisher: IOP Publishing
• [Book] Journal of Physics : Condensed Matter Special Issue: International Conference on Quantum Simulators and Design 2006 (2007)
  • Author(s): T. Oguchi and H. Akai (Edis.)
  • Publisher: IOP Publishing
• [Book] Journal of Physics: Condensed Matter Special Issus: International Conference on Quantum Simulators and Design (2007)
  • Author(s): H., Akai・T., Oguchi(Edis.)
  • Total Pages: 400
  • Publisher: IOP Publishing
• [Book] 計算機マテリアルデザイン入門 (2005)
  • Author(s): 笠井秀明, 赤井久純, 吉田博(編著)
  • Total Pages: 397
  • Publisher: 大阪大学出版会
• [Remarks] ホームページ
  • URL: http://ann.phys.sci.osaka-u.ac.jp
• [Remarks]
  • URL: http://ann.phys.sci.osaka-u.ac.jp/~tokutei/
• [Remarks]
  • URL: http://ann.phys.sci.osaka-u.ac.jp/
• [Remarks]
  • URL: http://ann.phys.sci.osaka-u.ac.jp/
• [Patent(Industrial Property Rights)] 磁気抵抗効果膜及びこれを具えた磁気抵抗効果素子、並びに磁気デバイス (2008)
  • Inventor(s): 赤井久純、小倉昌子、N. H. Long
  • Industrial Property Number: 2008-073917
  • Filing Date: 2008-09-18
• [Patent(Industrial Property Rights)] ハーフメタリック反強磁性体の調整方法 (2008)
  • Inventor(s): 赤井久純、小倉昌子、N. H. Long
  • Industrial Property Number: 2008-073917
  • Filing Date: 2008-03-21
• [Patent(Industrial Property Rights)] 反強磁性ハーフメタリック半導体 (2006)
  • Inventor(s): 赤井久純、小倉昌子、他
  • Industrial Property Number: 2006-219951
  • Filing Date: 2006-08-11