Embedded Files
Discussion with Dr. Paolo Barone and Dr. Silvia Picozzi
(photographed by Dr. Alessandro Stroppa, Chieti, 2014)
理学博士 山内邦彦
大阪大学大学院基礎工学研究科附属スピントロニクス学術連携研究教育センター CREST特任研究員 (2023Apr-)
yamauchi.kunihiko.es(chiocciola)osaka-u.ac.jp
1977年奈良生まれ
研究テーマ
研究テーマ
物性理論: バンド計算。遷移金属酸化物を中心としたマルチフェロイック物質の磁性・強誘電性についての研究を主なテーマとしつつ、分子結晶の構造安定性・スピンクロスオーバー・スピンバレー効果・ラシュバ効果・トポロジカル絶縁体・熱電物質についての共同研究を行う。使用するプログラムは、VASP, HiLAPW, FLEURなど。電子状態計算の補助として、群論・ランダウ理論による相転移現象の記述、ワニエ関数を用いた電子伝導の議論もおこなう。
代表的論文10本
代表的論文10本
1) Coupling Ferroelectricity with Spin-Valley Physics in Oxide-Based Heterostructures
Kunihiko Yamauchi, Paolo Barone, Tatsuya Shishidou, Tamio Oguchi, and Silvia Picozzi
Phys. Rev. Lett. 115, 037602/1-5 (2015). [Editor's Suggestion]
BiAlO3/BiIrO3 ヘテロ接合を理論設計し強誘電構造歪みと相関した特異なスピンバレー状態を実現、新たなスピントロニクス材料への道筋を提示した。
2) Electronic ferroelectricity induced by charge and orbital orderings
Kunihiko Yamauchi and Paolo Barone
J. Phys.: Condens. Matter 26, 103201/1-17 (2014). [Topical Review]
電荷秩序・軌道整列を示すマルチフェロイック物質のレビュー論文。主にマグネタイト(Fe3O4)の電荷秩序に起因する強誘電性に関する歴史をまとめた。
3) Theoretical Prediction of Multiferroicity in SmBaMn2O6
Kunihiko Yamauchi
J. Phys. Soc. Jpn. 82, 043702/1-4 (2013). [Letter]
初の単著論文。Aサイト秩序型酸化物SmBaMn2O6の結晶構造と強誘電分極を理論予測した。
4) Highly sensitive spin-crossover transition in a metal-organic molecular crystal
Kunihiko Yamauchi, Ikutaro Hamada, and Tamio Oguchi
Phys. Rev. B 88, 035110/1-4 (2013).
濱田幾太郎さんとの共同研究。有機分子結晶の圧力下スピン転移を理論予測した。
5) Theoretical investigation of magnetoelectric effects in Ba2CoGe2O7
Kunihiko Yamauchi, Paolo Barone, and Silvia Picozzi
Phys. Rev. B 84, 165137/1-6 (2011).
電子状態計算に加えてランダウ理論を用いてBa2CoGe2O7の電気磁気効果を調べた。
6) Interplay between charge-order, ferroelectricity and ferroelasticity: tungsten bronze structures as a playground for multiferroicity
Kunihiko Yamauchi and Silvia Picozzi
Phys. Rev. Lett. 105, 107202/1-4 (2010).
K0.6FeF3が電荷秩序に起因する強誘電性を示すことを理論予測した。
7) Ferroelectricity in multiferroic magnetite Fe3O4 driven by noncentrosymmetric Fe2+/Fe3+ charge-ordering: First-principles study
Kunihiko Yamauchi, Tetsuya Fukushima, and Silvia Picozzi
Phys. Rev. B 79, 212404/1-4 (2009).
代表的な磁石であるマグネタイト(Fe3O4)の低温相が極性を持つ電荷秩序を示し、結晶全体の強誘電分極を誘起することを明らかにした。
8) Magnetically induced ferroelectricity in orthorhombic manganites: Microscopic origin and chemical trends
Kunihiko Yamauchi, Frank Freimuth, Stefan Blügel, and Silvia Picozzi
Phys. Rev. B 78, 014403/1-10 (2008). (52 cited)
ドイツ・ユーリッヒ研究所との共同研究。斜方晶マンガン酸化物 RMnO3 の構造歪みと磁性の相関を調べ、ワニエ関数を用いて強誘電性の起源を理解した。
9) Bandstructure and Fermi Surfaces of CeRh3B2
Kunihiko Yamauchi, Akira Yanase, Hisatomo Harima
J. Phys. Soc. Jpn. 79, 044717/1-8 (2010).
播磨尚朝先生指導の博士論文を後にまとめたもの。磁性をもつ4f電子系の基底状態を調べ、フェルミ面を実験結果と比較した。
10) Charge and Spin States of Transition-Metal Atoms in a Hemoprotein Based on the Extended Haldane-Anderson Model
Kunihiko Yamauchi, Hideaki Maebashi, Hiroshi Katayama-Yoshida
J. Phys. Soc. Jpn., 72(8), 2029/1-4 (2003).
吉田博先生指導の修士論文を後にまとめたもの。アンダーソン模型を用いてヘム鉄の多重荷電状態・スピン転移を記述した。
職歴
職歴
2023年4月-現在 大阪大学大学院基礎工学研究科附属スピントロニクス学術連携研究教育センター CREST特任研究員。トポロジカル物質に関する第一原理計算を行う。
2022年4月-2023年3月 大阪大学工学研究科 物理学系専攻 精密工学講座 森川研究室 CREST特任助教。水素化遷移金属酸化物に関する第一原理計算を行う。
2020年11月16日-2022年3月 京都大学学際融合教育研究推進センターESICBユニット特定助教。二次電池に関する第一原理計算を行う。
2010年11月16日-2020年11月15日 阪大産研 小口多美夫研究室 助教。
2006年12月1日-2010年11月11日 イタリア国立研究所 Silvia Picozzi 博士のもとで博士研究員、2008年11月から任期付助教 (“Ricercatore III livello a Tempo Determinato”) 。 マルチフェロイック物質のバンド計算を行う。
2005年4月-2006年11月 阪大産研 研究員 磁気異方性に関するバンド計算を行う。
学歴
学歴
2002年4月-2005年3月 阪大理 博士 4f電子系のバンド計算を行う。磁性がある場合のLDA+U法、スピン軌道相互作用、MOKEスペクトルなどのプログラム開発を行う。播磨尚朝 助教授、柳瀬章 特任教授に師事。
2000年4月-2002年3月 阪大理 修士 ヘモグロビン磁性についての強束縛模型の計算を行う。前橋英明 博士、吉田博 教授に師事。
1996年4月-2000年3月 姫路工大理 学部 卒業研究で大型放射光施設 (SPring-8、Photon factory) を利用した磁気回折実験を行う。坂井信彦 教授、伊藤正久 助教授に師事。
獲得研究資金
2018-2023 JST-CREST:「ナノスピンARPESによるハイブリッドトポロジカル材料創製」主たる共同研究者 (研究代表 佐藤宇史教授) 課題番号 JPMJCR18T1.
2018-2019 科研費 新学術:トポ物質科学 公募研究「第一原理計算を用いたトポロジカル物性の機構解明と新物質設計」研究代表 課題番号 18H04227.
2017-2019 科研費 基盤研究(B)「軌道物理としての励起子絶縁体の電子状態の解明」分担 (研究代表 石原純夫教授) 課題番号 17H02916.
2016-2017 科研費 新学術:トポ物質科学 公募研究「第一原理計算を用いた新奇トポロジカル物質の探索」研究代表 課題番号 16H00993.
2014-2016 科研費 基盤研究(B)「電子型誘電体における新奇な誘電性の探索と発現機構の解明」分担 (研究代表 石原純夫教授) 課題番号 26287070.
2014-2016 科研費 若手研究(B)「遷移金属酸化物を用いたトポロジカル絶縁体のバンドエンジニアリング」研究代表 課題番号 26800186.
2012-2013 科研費 若手研究(B)「マンガン酸化物を中心としたマルチフェイック物質の理論研究」研究代表 課題番号 24740235.
招待講演・研究室訪問
招待講演・研究室訪問
K. Yamauchi, “Spin Splitting Phenomena and Magnetic Symmetry Analysis in Altermagnetic Materials”, The 24th Asian Workshop on First-Principles Electronic Structure Calculations, ASIAN-24, Shanghai, China, October 30 - November 1 (2023).
K. Yamauchi, “Ab initio prediction of anomalous Hall effect in altermagnetic CaCrO3”,
EU-Japan Workshop on Spintronics and Quantum Transformation (SPIN-QX 2023), Jülich, Germany, August 7-10 (2023).K. Yamauchi, "Ab initio Theoretical Studies on Multiferroicity in Transition Metal Oxide", International Symposium on Magnetism and Magnetic Materials (韓国磁気学会), 済州島, 23-25 Nov, 2016.
K. Yamauchi, “Spin-Valley Coupling and Topological Phase Transition in Ferroelectric Oxide Heterostructures”, 11th Korea-Japan Conference on Ferroelectrics (KJC-FE11), Sungkyunkwan University, Seoul, Korea, 7-10 Aug, 2016.
2014年12月20日 山内邦彦 「電荷秩序が誘起する強誘電酸化物の電子状態計算」, 電荷とスピンが織りなす時空間マルチスケール揺らぎ研究会 岡山大学.
2014年9月17日 K. Yamauchi, "Theoretical prediction of giant Rashba effect and spin-valley coupling in bulk transition-metal oxides", Forschungszentrum Jülich, group of Prof. Stefan Blügel. [訪問滞在]
2014年6月1-3日 K. Yamauchi, "Theoretical prediction of giant Rashba effect in bulk transition-metal oxides", International Workshop of Computational Nano-Materials Design on Green Energy, Osaka University.
2014年4月4日 山内邦彦「マルチフェロイック物質における最近の研究から」, 第２７期ＣＡＭＭフォーラム 本例会, 東京・表参道アイビーホール.
2013年6月16-19日 K. Yamauchi, "Theoretical prediction of novel magnetoelectric materials", Joint Workshop of Interactive Materials Science Cadet Program (IMSC), Osaka University, and S-1 JSPS Core-to-Core Program (A) Advanced Research Networks, Hyogo.
2013年12月10-13日 山内邦彦 「第一原理計算を用いたマルチフェロイック物質の材料設計」, 物性研スパコン共同利用・CMSI 合同研究会（第４回 CMSI 研究会）, 千葉.
2013年2月6日 Kunihiko Yamauchi, "DFT calculations on electronic ferroelectrics: magnetite and half-doped manganites", 埼玉 理研CMRG 十倉好紀研究室. [訪問滞在]
2012年11月19-20日 K. Yamauchi, “Electronic state calculation in electronic ferroelectricity”, CMRC Workshop ”Novel dielectric property in correlated electron system - Electron and Structure-“, Tsukuba.
2012年7月2日 "Charge-order-induced multiferroicity in transition-metal oxides", ISSP-CMSI international workshop/symposium on MAterial Simulation in Petaflops era (MASP2012), ISSP, Univ. Tokyo, Japan.
2012年3月23日 "Ab-initio Theoretical Studies on Charge- Order Induced Ferroelectricity and Magnetoelectric Effects", Electronic Ferroelectricity - ELF2012, Vietri sul Mare, Italy.
2011年10月30日-11月2日 "Novel mechanisms for multiferroicity and magnetoelectric effects in transition metal oxides", The 14th Asian Workshop on First-Principles Electronic Structure Calculations, Univ. Tokyo, Japan.
2011年9月21－24日 山内邦彦, 招待講演21pGB-5「第一原理計算によるマルチフェロイック物質の研究」, 平成23年度日本物理学会秋季大会 (富山大学).
2011年3月3日 山内邦彦「新奇マルチフェロイック物質の第一原理計算」, 東北大理 石原純夫研究室. [訪問滞在]
2011年1月17-19日 "First Principles Studies on Charge-Order Induced Ferroelectricity and Magnetoelectric Effects", The 3rd APCTP workshop on multiferroics, Waseda Univ, Tokyo, Japan.
2010年5月25日 Kunihiko Yamauchi, "Theoretical studies on charge-order induced ferroelectricity", 阪大基礎工 木村剛研究室 (グローバルCOEセミナー).[訪問滞在]
2009年12月20日 山内邦彦「スピン・電荷・軌道の秩序が引き起こす強誘電分極の新たなメカニズム」, 広島大学先端物質科学 小口多美夫研究室 (物性セミナー).[訪問滞在]
2008年9月10日 山内邦彦 「斜方晶RMnO3における電気磁気効果および強誘電分極の起源」, 神戸大理学部 播磨尚朝研究室 (物性セミナー).[訪問滞在]
主な共同研究者
主な共同研究者
Dr. Silvia Picozzi, Dr. Paolo Barone イタリア国立研究所 (CNR-INFM Chieti): 遷移金属酸化物の電子状態計算:マルチフェロイクス・ラシュバ効果
木村剛 教授 阪大基礎工→東大新領域: マルチフェロイクスの研究
読みもの
読みもの
「イタリアで体験したこと」pdf
[出版論文]
1. K. Nakayama, A. Tokuyama, K. Yamauchi, A. Moriya, T. Kato, K. Sugawara, S. Souma, M. Kitamura, K. Horiba, H. Kumigashira, T. Oguchi, T. Takahashi1, K. Segawa, and T. Sato, “Observation of edge states derived from topological helix chains”, Nature (2024); doi.org/10.1038/s41586-024-07484-z
2. Hao-Bo Li, Zhiping Bian, Mitsuki Yoshimura, Kohei Shimoyama, Chengchao Zhong, Keiji Shimoda, Azusa N. Hattori, Kunihiko Yamauchi, Ikutaro Hamada, Hiromichi Ohta, and Hidekazu Tanaka, “Wide-range thermal conductivity modulation based on protonated nickelate perovskite oxides”, Appl. Phys. Lett. 124, 191901 (2024); doi.org/10.1063/5.0201268
3. T. Osumi, S. Souma, T. Aoyama, K. Yamauchi, A. Honma, K. Nakayama, T. Takahashi, K. Ohgushi, and T. Sato, “Observation of a giant band splitting in altermagnetic MnTe”, Phys. Rev. B 109, 115102/1-8 (2024); doi.org/10.1103/PhysRevB.109.115102
4. Kosuke Tanabe, Shintaro Hatoyama, Hirofumi Wada, Kunihiko Yamauchi, Tamio Oguchi, Hisatomo Harima, “Hall effect of itinerant electron metamagnetic Lu(Co0.91Al0.09)2”, J. MAGN. MAGN. MATER. 592 171821/1-7 (2024); doi.org/10.1016/j.jmmm.2024.171821
5. Thi Phuong Thao Nguyen and Kunihiko Yamauchi, “Goodenough–Kanamori–Anderson Rules in 2D Magnet: A Chemical Trend in MCl2 with M = V, Mn, and Ni”, J. Phys. Soc. Jpn. 93, 034710/1-6 (2024); doi.org/10.7566/JPSJ.93.034710
6. A. Honma, D. Takane, S. Souma, K. Yamauchi, Y. Wang, K. Nakayama, K. Sugawara, M. Kitamura, K. Horiba, H. Kumigashira, K. Tanaka, T. K. Kim, C. Cacho, T. Oguchi, T. Takahashi, Yoichi Ando, and T. Sato, “Antiferromagnetic topological insulator with selectively gapped Dirac cones”, Nat. Commun. 14, 7396/1-8 (2023); doi.org/10.1038/s41467-023-42782-6
7. Kunihiko Yamauchi* and Ikutaro Hamada, “Hydrogen-induced insulating state accompanied by interlayer charge ordering in SmNiO3”, Phys. Rev. B 108, doi.org/045108/1-6 (2023); 10.1103/PhysRevB.108.045108
8. Kosuke Tanabe, Shintaro Hatoyama, Hirofumi Wada, Alexander V. Andreev, Kunihiko Yamauchi, Tamio Oguchi, and Hisatomo Harima, “Hall effect of RCo2 (R= Er and Lu) compounds”, J. Alloys Compd. 960, 170743/1-9 (2023); doi.org/10.1016/j.jallcom.2023.170743
9. Thi Phuong Thao Nguyen and Kunihiko Yamauchi, “Ab initio prediction of anomalous Hall effect in antiferromagnetic CaCrO3”, Phys. Rev. B 107, 155126/1-9 (2023); doi.org/10.1103/PhysRevB.107.155126
10. M. Kobayashi, N. H. D. Khang, T. Takeda, K. Araki, R. Okano, M. Suzuki, K. Kuroda, K. Yaji, K. Sugawara, S. Souma, K. Nakayama, K. Yamauchi, M. Kitamura, K. Horiba, A. Fujimori, T. Sato, S. Shin, M. Tanaka, and P. N. Hai, “Rhombic Fermi surfaces in a ferromagnetic MnGa thin film with perpendicular magnetic anisotropy”, Phys. Rev. Materials 6, 074403/1-7 (2022); doi.org/10.1103/PhysRevMaterials.6.074403
11. Alessandro De Vita, Thao Thi Phuong Nguyen, Roberto Sant, Gian Marco Pierantozzi, Danila Amoroso, Chiara Bigi, Vincent Polewczyk, Giovanni Vinai, Loi T. Nguyen, Tai Kong, Jun Fujii, Ivana Vobornik, Nicholas B. Brookes, Giorgio Rossi, Robert J. Cava, Federico Mazzola, Kunihiko Yamauchi, Silvia Picozzi, and Giancarlo Panaccione, “Influence of Orbital Character on the Ground State Electronic Properties in the van Der Waals Transition Metal Iodides VI3 and CrI3”, Nano Lett. 22, 7034-7041 (2022); doi.org/10.1021/acs.nanolett.2c01922
12. Kira Riedl, Danila Amoroso, Steffen Backes, Aleksandar Razpopov, Thi Phuong Thao Nguyen, Kunihiko Yamauchi, Paolo Barone, Stephen M. Winter, Silvia Picozzi, and Roser Valentí, “Microscopic origin of magnetism in monolayer 3d transition metal dihalides”, Phys. Rev. B 106, 035156/1-15 (2022); doi.org/10.1103/PhysRevB.106.035156
13. Kosuke Tanabe, Yoshiro Maekawa, Hirofumi Wada, Kunihiko Yamauchi, Tamio Oguchi, and Hisatomo Harima, “Hall effect of itinerant electron metamagnet Co(S1-xSex)2”, J. Magn. Magn. Mater. 557, 169460/1-8 (2022); doi.org/10.1016/j.jmmm.2022.169460
14. Kunihiko Yamauchi*, Ryoma Shimazu, and Tamio Oguchi, “Spin-Polarized Band Structure at MoTe2/Bi2Se3 Interface Designed from First Principles”, J. Phys. Soc. Jpn. 91, 044705/1-5 (2022); doi.org/10.7566/JPSJ.91.044705
15. Kunihiko Yamauchi*, Hiroyoshi Momida, and Tamio Oguchi, “First-Principles Study on Cathode Properties of Li2MTiO4and Na2MTiO4 (M = V, Cr, Mn, Fe, Co, Ni)”, J. Phys. Soc. Jpn. 91, 034704/1-5 (2022); doi.org/10.7566/JPSJ.91.034704
16. Hiroshi Katsumoto, Kunihiko Yamauchi, Tamio Oguchi, “First-principles Study on Piezoelectricity and Spontaneous Polarization in Bi(Fe,Co)O3”, J. Phys. Soc. Jpn. 90, 124712/1-10 (2021); doi.org/10.7566/JPSJ.90.124712
17. Thi Phuong Thao Nguyen, Kunihiko Yamauchi*, Tamio Oguchi, Danila Amoroso, and Silvia Picozzi, “Electric-field tuning of the magnetic properties of bilayer VI3: A first-principles study”, Phys. Rev. B 104, doi.org/014414/1-8 (2021);10.1103/PhysRevB.104.014414
18. F. Offi, K. Yamauchi, S. Picozzi, V. Lollobrigida, A. Verna, C. Schlueter, T.-L. Lee, A. Regoutz, D. J. Payne, A. Petrov, G. Vinai, G. M. Pierantozzi, T. Pincelli, G. Panaccione, and F. Borgatti, “Identification of hidden orbital contributions in the La0.65Sr0.35MnO3 valence band”, Phys. Rev. Mater. 5, 104403/1-7 (2021); doi.org/10.1103/PhysRevMaterials.5.104403
19. Mizuki Endo, Hideyuki Kawasoko, Seigo Soma, Kunihiko Yamauchi, Miho Kitamura, Koji Horiba, Hiroshi Kumigashira, Noriaki Kimura, Tamio Oguchi, Takafumi Sato, and Tomoteru Fukumura, “Large magnetoresistance of a compensated metal Cu2Sb correlated with its Fermi surface topology”, Phys. Rev. Mater. 5, 105002/1-8 (2021); doi.org/10.1103/PhysRevMaterials.5.105002
20. Daichi Takane, Yuya Kubota, Kosuke Nakayama, Tappei Kawakami, Kunihiko Yamauchi, Seigo Souma, Takemi Kato, Katsuaki Sugawara, Shin-ichiro Ideta, Kiyohisa Tanaka, Miho Kitamura, Koji Horiba, Hiroshi Kumigashira, Tamio Oguchi, Takashi Takahashi, Kouji Segawa, and Takafumi Sato, “Dirac semimetal phase and switching of band inversion in XMg2Bi2(X = Ba and Sr)”, Scientific Reports 11, 21937/1-9 (2021); doi.org/10.1038/s41598-021-01333-z
21. Ikuko Watanabe, Seigo Souma, Kosuke Nakayama, Katsuaki Sugawara, Chi Xuan Trang, Kouji Segawa, KunihikoYamauchi, Tamio Oguchi, Takashi Takahashi, and Takafumi Sato, “Pb/Bi heterostructure as a versatile platform to realize topological superconductivity”, Prog. Theor. Exp. Phys. 2021, 04A103/1-13; doi.org/10.1093/ptep/ptab105
22. Takumi Sato, Katsuaki Sugawara*, Takemi Kato, Yuki Nakata, Seigo Souma, Kunihiko Yamauchi, Tamio Oguchi, Takashi Takahashi, and Takafumi Sato*, “Manipulation of Dirac Cone in Topological Insulator/Topological Insulator Heterostructure”, ACS Appl. Electron. Mater. 3, 1080–1085 (2021); doi.org/10.1021/acsaelm.0c00918
23. Ping Miao*, Zhijian Tan, Sanghyun Lee, Yoshihisa Ishikawa, Shuki Torii, Masao Yonemura, Akihiro Koda, Kazuki Komatsu, Shinichi Machida, Asami Sano-Furukawa, Takanori Hattori, Xiaohuan Lin, Kuo Li, Takashi Mochiku, Ryosuke Kikuchi, Chizuru Kawashima, Hiroki Takahashi, Qingzhen Huang, Shinichi Itoh, Ryosuke Kadono, Yingxia Wang, Feng Pan, Kunihiko Yamauchi*, and Takashi Kamiyama*, “Origin of magnetovolume effect in a cobaltite”, Phys. Rev. B 103, 094302/1-18 (2021); doi.org/10.1103/PhysRevB.103.094302
24. Takafumi Sato, Keiko Yamada, Takao Kosaka, Seigo Souma, Kunihiko Yamauchi, Katsuaki Sugawara, Tamio Oguchi, and Takashi Takahashi, “Unusual temperature evolution of the band structure of Bi(111) studied by angle-resolved photoemission spectroscopy and density functional theory”, Phys. Rev. B 102, 085112/1-6 (2020); doi.org/10.1103/PhysRevB.102.085112
25. Kenta Kimura, Daisuke Urushihara, Toru Asaka, Masayuki Toyoda, Atsushi Miyake, Masashi Tokunaga, Akira Matsuo, Koichi Kindo, Kunihiko Yamauchi, and Tsuyoshi Kimura, “Synthesis, Structure, and Anomalous Magnetic Ordering of the Spin-1/2 Coupled Square Tetramer System K(NbO)Cu4(PO4)4”, Inorg. Chem. 59, 10986/1-10 (2020); doi.org/10.1021/ acs.inorgchem.0c01463
26. Hajime Yamamoto, Satoru Sekikawa, Haruka Taniguchi, Michiaki Matsukawa, Kei Shigematsu, Takashi Honda, Kunihiko Yamauchi, Kazutaka Ikeda, Toshiya Otomo, Terutoshi Sakakura, Masaki Azuma, Shigeki Nimori, Yukio Noda, and Hiroyuki Kimura, “Reversible thermally controlled spontaneous magnetization switching in perovskite-type manganite”, App. Phys. Lett. 117, 112404/1-4 (2020); doi.org/10.1063/5.0017506
27. K. Yokoi, M. Yashima, H. Murakawa, H. Mukuda, K. Yamauchi, T. Oguchi, H. Sakai, and N. Hanasaki, “181Ta nuclear quadrupole resonance study of the noncentrosymmetric superconductor PbTaSe2”, Phys. Rev. B 102, 214504/1-5 (2020); doi.org/10.1103/PhysRevB.102.214504
28. Thi Phuong Thao Nguyen, Kunihiko Yamauchi*, Kohji Nakamura, and Tamio Oguchi, “Impact of Inter-site Spin–Orbit Coupling on Perpendicular Magnetocrystalline Anisotropy in Cobalt-Based Thin Films”, J. Phys. Soc. Jpn. 89, 114710/1-5 (2020); doi.org/10.7566/JPSJ.89.114710
29. Takemi Kato, Katsuaki Sugawara, Naohiro Ito, Kunihiko Yamauchi, Takumi Sato, Tamio Oguchi, Takashi Takahashi, Yuki Shiomi, Eiji Saitoh, and Takafumi Sato, “Modulation of Dirac electrons in epitaxial Bi2Se3 ultrathin films on van der Waals ferromagnet Cr2Si2Te6”, Phys. Rev. Mater. 4, 084202/1-6 (2020); doi.org/10.1103/PhysRevMaterials.4.084202
30. Takao Kosaka, Kunihiko Yamauchi*, Tamio Oguchi, “DFT-based Engineering of Dirac Surface States in Topological-insulator Multilayers”, J. Phys. Soc. Jpn. 89, 094701 (2020); doi.org/10.7566/JPSJ.89.094701
31. D. Okuyama, K. Yamauchi, H. Sakai, Y. Taguchi, Y. Tokura, K. Sugimoto, T. J. Sato, and T. Oguchi, “Ferroelectric atomic displacement in multiferroic tetragonal perovskite Sr1/2Ba1/2MnO3”, Phys. Rev. Research 2, 033038/1-9 (2020); doi.org/10.1103/PhysRevResearch.2.033038
32. C.X. Trang, N. Shimamura, K. Nakayama, S. Souma, K. Sugawara, I. Watanabe, K. Yamauchi, T. Oguchi, K. Segawa, T. Takahashi, Yoichi Ando, and T. Sato, “Conversion of a conventional superconductor into a topological superconductor by topological proximity effect”, Nat. Commun. 11, 159/1-6 (2020); doi.org/10.1038/s41467-019-13946-0
33. Kunihiko Yamauchi*, Paolo Barone, and Silvia Picozzi, “Bulk Rashba effect in multiferroics: A theoretical prediction for BiCoO3”, Phys. Rev. B 100, 245115/1-5 (2019); doi.org/10.1103/PhysRevB.100.245115
34. Y. Nakata, K. Sugawara, A. Chainani, K. Yamauchi, K. Nakayama, S. Souma, P.-Y. Chuang, C.-M. Cheng, T. Oguchi, K. Ueno, T. Takahashi, and T. Sato, “Dimensionality reduction and band quantization induced by potassium intercalation in 1T-HfTe2”, Phys. Rev. Mat. 3, 071001(R)/1-6 (2019); doi.org/10.1103/PhysRevMaterials.3.071001
35. Takechika Nakamura, Seigo Souma, Zhiwei Wang, Kunihiko Yamauchi, Daichi Takane, Hikaru Oinuma, Kosuke Nakayama, Koji Horiba, Hiroshi Kumigashira, Tamio Oguchi, Takashi Takahashi, Yoichi Ando, and Takafumi Sato, “Evidence for bulk nodal loops and universality of Dirac-node arc surface states in ZrGeXc (Xc = S, Se, Te)”, Phys. Rev. B 99, 245105/1-11 (2019); doi.org/10.1103/PhysRevB.99.245105
36. Vu Thi Ngoc Huyen, Michi-To Suzuki*, Kunihiko Yamauchi, and Tamio Oguchi, “Topology analysis for anomalous Hall effect in the noncollinear antiferromagnetic states of Mn3AN (A = Ni, Cu, Zn, Ga, Ge, Pd, In, Sn, Ir, Pt)”, Phys. Rev. B 100, 094426/1-9 (2019); doi.org/10.1103/PhysRevB.100.094426
37. Hui-Min Zhang, Jun Chen, Paolo Barone, Kunihiko Yamauchi, Shuai Dong, and Silvia Picozzi, “Possible emergence of a skyrmion phase in ferroelectric GaMo4S8”, Phys. Rev. B 99, 214427/1-8 (2019); doi.org/10.1103/PhysRevB.99.214427
38. Kenta Kimura, Yasuyuki Kato, Kunihiko Yamauchi, Atsushi Miyake, Masashi Tokunaga, Akira Matsuo, Koichi Kindo, Mitsuru Akaki, Masayuki Hagiwara, Shojiro Kimura, Masayuki Toyoda, Yukitoshi Motome, and Tsuyoshi Kimura, “Magnetic structural unit with convex geometry: A building block hosting an exchange-striction-driven magnetoelectric coupling”, Phys. Rev. Mat. 2, 104415/1-12 (2018) [Editor’s Suggestion]; doi.org/10.1103/PhysRevMaterials.2.104415
39. K. Kimura, M. Toyoda, P. Babkevich, K. Yamauchi, M. Sera, V. Nassif, H. M. Rønnow, and T. Kimura, “A-cation control of magnetoelectric quadrupole order in A(TiO)Cu4(PO4)4 (A = Ba, Sr, and Pb)”, Phys. Rev. B 97, 134418/1-6 (2018) [Editor’s Suggestion]; doi.org/10.1103/PhysRevB.97.134418
40. N. Shimamura, K. Sugawara, S. Sucharitakul, S. Souma, K. Iwaya, K. Nakayama, C. X. Trang, K. Yamauchi, T. Oguchi, K. Kudo, T. Noji, Y. Koike, T. Takahashi, T. Hanaguri, T. Sato, “Ultrathin Bismuth Film on High-Temperature Cuprate Superconductor Bi2Sr2CaCu2O8+δ as a Candidate of a Topological Superconductor”, ACS Nano 12, 10977−10983 (2018); doi.org/10.1021/acsnano.8b04869
41. K. Yamada, S. Souma, K. Yamauchi, N. Shimamura, K. Sugawara, CX Trang, T. Oguchi, K. Ueno, T. Takahashi, and T. Sato, “Ultrathin Bismuth Film on 1T-TaS2: Structural Transition and Charge-Density-Wave Proximity Effect”, Nano Letters 18, 3235/1-6 (2018); doi.org/10.1021/acs.nanolett.8b01003
42. K. Nakayama, M. Kuno, K. Yamauchi, S. Souma, K. Sugawara, T. Oguchi, T. Sato, and T. Takahashi, “Band splitting and Weyl nodes in trigonal tellurium studied by angle-resolved photoemission spectroscopy and density functional theory”, Phys. Rev. B 95, 125204/1-5 (2017); doi.org/10.1103/PhysRevB.95.125204
43. T. T. Nguyen, K. Yamauchi, T. Oguchi, and N. N. Hoang, “Influences of Orientation on Magnetoelectric Coupling at La1−xSrxMnO3/BaTiO3 Interface from Ab Initio Calculations”, J. Electron. Matter. 46, 3808-3814 (2017); doi.org/10.1007/s11664-016-5277-8
44. X. Ming, C. Autieri, K. Yamauchi, and S. Picozzi, “Role of square planar coordination in the magnetic properties of Na4IrO4”, Phys. Rev. B 96, 205158/1-11 (2017). doi.org/10.1103/PhysRevB.96.205158
45. K. Yamauchi*, P. Barone, and S. Picozzi, “Topological phase transition coupled with spin-valley physics in ferroelectric oxide heterostructures”, Phys. Rev. B 95, 035146/1-7 (2017).
doi.org/10.1103/PhysRevB.95.035146
46. S. Souma, Z. Wang, H. Kotaka, T. Sato, K. Nakayama, Y. Tanaka, H. Kimizuka, T. Takahashi, K. Yamauchi, T. Oguchi, Kouji Segawa, and Yoichi Ando, “Direct observation of nonequivalent Fermi-arc states of opposite surfaces in the noncentrosymmetric Weyl semimetal NbP”, Phys. Rev. B 93, 161112(R)/1-6 (2016) [Editor’s Suggestion]; doi.org/10.1103/PhysRevB.93.161112
47. K. Kimura, P. Babkevich, M. Sera, M. Toyoda, K. Yamauchi, G.S. Tucker, J. Martius, T. Fennell, P. Manuel, D.D. Khalyavin, R.D. Johnson, T. Nakano, Y. Nozue, H.M. Rønnow, and T. Kimura, “Magnetodielectric detection of magnetic quadrupole order in Ba(TiO)Cu4(PO4)4 with Cu4O12 square cupolas”, Nature. Commun. 7, 13039/1-7 (2016); doi.org/10.1038/ncomms13039
48. R. Takahashi, I. Ohkubo, K. Yamauchi, M. Kitamura, Y. Sakurai, M. Oshima, T. Oguchi, Y. Cho, and M. Lippmaa, “A-site-driven ferroelectricity in strained ferromagnetic La2NiMnO6 thin films”, Phys. Rev. B 91, 134107/1-9 (2015); doi.org/10.1103/PhysRevB.91.134107
49. K. Isoyama, M. Toyoda, K. Yamauchi, and T. Oguchi, “Ab Initio Study on Pressure-Induced Phase Transition in LaCu3Fe4O12”, J. Phys. Soc. Jpn. 84, 034709/1-5 (2015); doi.org/10.7566/JPSJ.84.034709
50. K. Yamauchi*, P. Barone, T. Shishidou, T. Oguchi, and S. Picozzi, “Coupling Ferroelectricity with Spin-Valley Physics in an Oxide-Based Heterostructure”, Phys. Rev. Lett. 115, 037602/1-5 (2015) [Editor’s Suggestion]; doi.org/10.1103/PhysRevLett.115.037602
51. H. Saijo, K. Yamauchi*, K. Shirai, T. Oguchi, “Impact of Ferroelectric Distortion on Thermopower in BaTiO3”, J. Phys. Soc. Jpn. 84, 054701/1-5 (2015); 10.7566/JPSJ.84.054701
52. Paolo Barone, Kunihiko Yamauchi, and Silvia Picozzi, “Jahn-Teller distortions as a novel source of multiferroicity”, Phys. Rev. B 92, 014116/1-6 (2015); doi.org/10.1103/PhysRevB.92.014116
53. Masayuki Toyoda, Takashi Saito, Kunihiko Yamauchi, Yuichi Shimakawa, and Tamio Oguchi, “Superexchange interaction in the A-site ordered perovskite YMn3Al4O12”, Phys. Rev. B 92, 014420/1-7 (2015); doi.org/10.7566/JPSJ.83.094712
54. K. Yamauchi*, T. Oguchi, S. Picozzi, “Ab-initio Prediction of Magnetoelectricity in Infinite-Layer CaFeO2 and MgFeO2”, J. Phys. Soc. Jpn. 83, 094712/1-6 (2014); doi.org/10.7566/JPSJ.83.094712
55. T. Aoyama, K. Yamauchi, A. Iyama, S. Picozzi, K. Shimizu, and T. Kimura, “Giant spin-driven ferroelectric polarization in TbMnO3 under high pressure”, Nat. Commun. 5, 5927/1-7 (2014); doi.org/10.1038/ncomms5927
56. S. Yanagisawa, K. Yamauchi, T. Inaoka, T. Oguchi, I. Hamada, “Origin of the band dispersion in a metal phthalocyanine crystal”, Phys. Rev. B 90, 245141/1-6 (2014); doi.org/10.1103/PhysRevB.91.039901
57. M. Toyoda, K. Yamauchi, and T. Oguchi, “Ab initio study of magnetic coupling in CaCu3B4O12 (B = Ti, Ge, Zr, and Sn)”, Phys. Rev. B 87, 224430/1-7 (2013); doi.org/10.1103/PhysRevB.87.224430
58. D. D. Sante, K. Yamauchi and S. Picozzi, “Beyond standard local density approximation in the study of magnetoelectric effects in Fe/BaTiO3 and Co/BaTiO3 interfaces”, J. Phys.: Condens. Matter 25, 066001/1-6 (2013); doi.org/10.1088/0953-8984/25/6/066001
59. D. Iuşan, K. Yamauchi, P. Barone, B. Sanyal, O. Eriksson, G. Profeta, and S. Picozzi, “Effects of strain on ferroelectric polarization and magnetism in orthorhombic HoMnO3”, Phys. Rev. B 87, 014403/1-8 (2013); doi.org/10.1103/PhysRevB.87.014403
60. T. Ueda, M. Kodera, K. Yamauchi, and T. Oguchi, “First-Principles Calculation of X-ray Absorption Spectra for the A-Site Ordered Perovskite CaCu3Fe4O12”, J. Phys. Soc. Jpn. 82, 094718/1-5 (2013); doi.org/10.7566/JPSJ.82.094718
61. K. Yamauchi, I. Hamada*, and T. Oguchi, “Highly sensitive spin-crossover transition in a metal-organic molecular crystal”, Phys. Rev. B 88, 035110/1-4 (2013); doi.org/10.1103/PhysRevB.88.035110
62. S. S. Subramanian, K. Yamauchi, T. Ozaki, T. Oguchi and B. Natesan, “Influence of lone pair doping on the multiferroic property of orthorhombic HoMnO3: ab initio prediction”, J. Phys.: Condens. Matter 25, 385901/1-8 (2013); doi.org/10.1088/0953-8984/25/38/385901
63. K. Yamauchi* and S. Picozzi, “Mechanism of Ferroelectricity in Half-Doped Manganites with Pseudocubic and Bilayer Structure”, J. Phys. Soc. Jpn. 82, 113703/1-5 (2013); doi.org/10.7566/JPSJ.82.113703
64. K. Yamauchi*, “Theoretical Prediction of Multiferroicity in SmBaMn2O6”, J. Phys. Soc. Jpn. 82, 043702/1-4 (2013) [Letter]; doi.org/10.7566/JPSJ.82.043702
65. Y. Taguchi, H. Sakai, D. Okuyama, S. Ishiwata, J. Fujioka, T. Fukuda, D. Hashizume, F. Kagawa, Y. Takahashi, R. Shimano, Y. Tokunaga, Y. Kaneko, A. Nakao , H. Nakao, Y. Murakami, K. Sugimoto, M. Takata, K. Yamauchi, S. Picozzi, A.Q.R. Baron, T. Arima, and Y. Tokura, “Emergent phenomena in perovskite-type manganites”, Physica B 407, 1685/1-4 (2012); doi.org/10.1016/j.physb.2012.01.006
66. K. Yamauchi* and S. Picozzi, “Orbital degrees of freedom as origin of magnetoelectric coupling in magnetite”, Phys. Rev. B 85, 085131/1-5 (2012); doi.org/10.1103/PhysRevB.85.085131
67. I. Hamada, K. Yamauchi, and T. Oguchi, “Structure and intermolecular bonding in NaBH4∙2H2O: A density functional theory study”, Phys. Rev. B 85, 214119/1-4 (2012); doi.org/10.1103/PhysRevB.85.214119
68. T. Fukushima, K. Yamauchi and S. Picozzi, “Ab initio investigation of Fe2+/Fe3+ dimerization and ferroelectricity in multiferroic magnetite: role of electronic correlations”, J. Phys. Soc. Jpn. 80, 014709/1-6 (2011); doi.org/10.1143/JPSJ.80.014709
69. P. Barone, K. Yamauchi, S. Picozzi, “Ferroelectricity due to Orbital Ordering in E-Type Undoped Rare-Earth Manganites”, Phys. Rev. Lett. 106, 077201/1-4 (2011); doi.org/10.1103/PhysRevLett.106.077201
70. D. Okuyama, S. Ishiwata, Y. Takahashi, K. Yamauchi, S. Picozzi, K. Sugimoto, H. Sakai, M. Takata, R. Shimano, Y. Taguchi, T. Arima, and Y. Tokura, “Magnetically driven ferroelectric atomic displacements in orthorhombic YMnO3”, Phys. Rev. B 84, 054440/1-7 (2011); doi.org/10.1103/PhysRevB.84.054440
71. K. Yamauchi, I. Hamada*, H. Huang, T. Oguchi, “Role of van der Waals interaction in crystalline ammonia borane”, Appl. Phys. Lett. 99, 181904/1-3 (2011); doi.org/10.1063/1.3657526
72. K. Yamauchi*, P. Barone, and S. Picozzi, “Theoretical investigation of magnetoelectric effects in Ba2CoGe2O7”, Phys. Rev. B 84, 165137/1-6 (2011); doi.org/10.1103/PhysRevB.84.165137
73. K. Yamauchi*, A. Yanase and H. Harima, “Bandstructure and Fermi Surfaces of CeRh3B2”, J. Phys. Soc. Jpn. 79, 044717/1-8 (2010); doi.org/10.1143/JPSJ.79.044717
74. K. Yamauchi* and S. Picozzi, “Interplay between charge-order, ferroelectricity and ferroelasticity: tungsten bronze structures as a playground for multiferroicity”, Phys. Rev. Lett. 105, 107202/1-4 (2010); doi.org/10.1103/PhysRevLett.105.107202
75. K. Yamauchi and S. Picozzi*, “Magnetic anisotropy in Li-phosphates and origin of magnetoelectricity in LiNiPO4”, Phys. Rev. B 81, 024110/1-5 (2010); doi.org/10.1103/PhysRevB.81.024110
76. T. Fukushima, K. Yamauchi, S. Picozzi, “Magnetically induced ferroelectricity in Cu2MnSnS4 and Cu2MnSnSe4”, Phys. Rev. B 82, 014102/1-6 (2010); doi.org/10.1103/PhysRevB.82.014102
77. S. Dong, K. Yamauchi, S. Yunoki, R. Yu, S. Liang, A. Moreo, J.-M. Liu, S. Picozzi and E. Dagotto, “Exchange bias driven by the Dzyaloshinskii-Moriya interaction and ferroelectric polarization at G-type antiferromagnetic perovskite interfaces”, Phys. Rev. Lett. 103, 127201/1-4 (2009); doi.org/10.1103/PhysRevLett.103.127201
78. M. Alexe, M. Ziese, D. Hesse, P. Esquinazi, K. Yamauchi, T. Fukushima, S. Picozzi, U. Gösele, “Ferroelectric Switching in Multiferroic Magnetite (Fe3O4) Thin Films”, Adv. Mater. 21, 4452/1-4 (2009); doi.org/10.1002/adma.200901381
79. K. Yamauchi, T. Fukushima, and S. Picozzi*, “Ferroelectricity in multiferroic magnetite Fe3O4 driven by noncentrosymmetric Fe2+/Fe3+ charge-ordering: First-principles study”, Phys. Rev. B 79, 212404/1-4 (2009); doi.org/10.1103/PhysRevB.79.212404
80. K. Yamauchi and S. Picozzi*, “Magnetically induced ferroelectricity in TbMnO3: Inverse Goodenough-Kanamori interaction”, J. Phys.: Condens. Matter 21, 064203/1-7 (2009); doi.org/10.1088/0953-8984/21/6/064203
81. T. Isshiki, N. Kimura, H. Aoki, T. Terashima, S. Uji, K. Yamauchi, H. Harima, D. Jaiswal-Nagar, S. Ramakrishnan and A. K. Grover, “de Haas-van Alphen effect in the mixed state of LuNi2B2C - anisotropy and field dependence of the damping due to superconductivity”, Phys. Rev. B 78, 134528/1-12 (2008); doi.org/10.1103/PhysRevB.78.134528
82. K. Yamauchi, F. Freimuth, S. Blügel, S. Picozzi*, “Magnetically induced ferroelectricity in orthorhombic manganites: Microscopic origin and chemical trends”, Phys. Rev. B 78, 014403/1-10 (2008); doi.org/10.1103/PhysRevB.78.014403
83. Y. Nagai, Y. Kato, N. Hayashi, K. Yamauchi, H. Harima, “Calculated positions of point nodes in the gap structure of the borocarbide superconductor YNi2B2C”, Phys. Rev. B 76, 214514/1-8 (2007); doi.org/10.1103/PhysRevB.76.214514
84. S. Picozzi, K. Yamauchi, B. Sanyal, I.A. Sergienko, E. Dagotto, “Dual nature of improper ferroelectricity in a magnetoelectric multiferroic”, Physical Review Letter 99, 227201/1-4 (2007); doi.org/10.1103/PhysRevLett.99.227201
85. K. Yamauchi, B. Sanyal, S. Picozzi*, “Interface effects at a half-metal/ferroelectric junction”, Appl. Phys. Lett. 91, 062506/1-3 (2007); doi.org/10.1063/1.2767776
86. K. Yamauchi*, H. Harima and A. Yanase, “Fermi surfaces of CeRh3B2: An LSDA+U study”, Physica B 378-80, 688/1-2 (2006); doi.org/10.1016/j.physb.2006.01.221
87. S. Picozzi, K. Yamauchi, G. Bihlmayer and S. Blügel, “First-principles stabilization of an unconventional collinear magnetic ordering in distorted Manganites”, Phys. Rev. B 74, 094402/1-5 (2006); doi.org/10.1103/PhysRevB.74.094402
88. K. Yamauchi*, H. Harima, “Bandstructure calculations and Fermi surfaces of RNi2B2C”, Physica B 359, 597/1-3 (2005); doi.org/10.1016/j.physb.2005.01.162
89. K. Yamauchi*, H. Katayama-Yoshida, A. Yanase and H. Harima, “Band structure calculations and Fermi surfaces of YNi2B2C”, Physica C 412, 225/1-5 (2004); doi.org/10.1016/j.physc.2003.12.029
90. K. Yamauchi*, H. Maebashi and H. Katayama-Yoshida, “Charge and Spin States of Transition-Metal Atoms in a Hemoprotein Based on the Extended Haldane-Anderson Model”, J. Phys. Soc. Jpn., 72(8), 2029/1-4 (2003); doi.org/10.1143/JPSJ.72.2029
[レビュー論文]
91. K. Yamauchi* and P. Barone, “Electronic ferroelectricity induced by charge and orbital orderings”, J. Phys.: Condens. Matter 26, 103201/1-17 (2014). [Topical Review] （国際共著）
doi.org/10.1088/0953-8984/26/10/103201
92. S. Picozzi, K. Yamauchi, I. A. Sergienko, C. Sen, B. Sanyal, and E. Dagotto, “Microscopic mechanisms for improper ferroelectricity in multiferroic perovskites, a theoretical review”, J. Phys.: Condens. Matter 20, 434208/1-10 (2008) [Review];doi.org/10.1088/0953-8984/20/43/434208
[国際会議プロシーディングス]
93. Yuki Nagai, Nobuhiko Hayashi, Yusuke Kato, Kunihiko Yamauchi, and Hisatomo Harima, “Field angle dependence of the zero-energy density of states in unconventional superconductors: analysis of the borocarbide superconductor YNi2B2C”, Journal of Physics: Conference Series 150, 052177 (2009).
［解説］
94. 豊田雅之、山内邦彦、小口多美夫、「Aサイト秩序型ペロフスカイト酸化物の磁性」、アグネ技術センター、固体物理 Vol. 51 No. 7 (2016).
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