Kunihiko Yamauchi

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

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

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

学歴

獲得研究資金

招待講演・研究室訪問

主な共同研究者

読みもの

Publications

Updated at 2023/Sep/01. 

See more information at Publons.

[原著論文]

(1)      Kunihiko Yamauchi and Ikutaro Hamada, “Hydrogen-induced insulating state accompanied by interlayer charge ordering in SmNiO3, Phys. Rev. B 108, 045108/1-6 (2023). DOI: 10.1103/PhysRevB.108.045108

(2)      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: 10.1016/j.jallcom.2023.170743 

(3)      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: 10.1103/PhysRevB.107.155126

(4)      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: 10.1103/PhysRevMaterials.6.074403

(5)      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: 10.1021/acs.nanolett.2c01922

(6)      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: 10.1103/PhysRevB.106.035156

(7)      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: 10.1016/j.jmmm.2022.169460

(8)      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: 10.7566/JPSJ.91.044705

(9)      Kunihiko Yamauchi*, Hiroyoshi Momida, and Tamio Oguchi, “First-Principles Study on Cathode Properties of Li2MTiO4 and Na2MTiO4 (M = V, Cr, Mn, Fe, Co, Ni)”, J. Phys. Soc. Jpn. 91, 034704/1-5 (2022). DOI: 10.7566/JPSJ.91.034704

(10)   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: doi.org/10.7566/JPSJ.90.124712

(11)   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, 014414/1-8 (2021). DOI: 10.1103/PhysRevB.104.014414

(12)   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: 10.1103/PhysRevMaterials.5.104403

(13)   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: 10.1103/PhysRevMaterials.5.105002

(14)   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: 10.1038/s41598-021-01333-z

(15)   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: 10.1093/ptep/ptab105

(16)   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: 10.1021/acsaelm.0c00918

(17)   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: 10.1103/PhysRevB.103.094302

(18)   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: 10.1103/PhysRevB.102.085112

(19)   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: 10.1021/ acs.inorgchem.0c01463

(20)    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); 10.1063/5.0017506

(21)   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: 10.1103/PhysRevB.102.214504

(22)   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: 10.7566/JPSJ.89.114710

(23)   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: 10.1103/PhysRevMaterials.4.084202

(24)   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: 10.7566/JPSJ.89.094701

(25)   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: 10.1103/PhysRevResearch.2.033038

(26)   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: 10.1038/s41467-019-13946-0

(27)   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: 10.1103/PhysRevB.100.245115

(28)   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: 10.1103/PhysRevMaterials.3.071001

(29)   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: 10.1103/PhysRevB.99.245105

(30)   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: 10.1103/PhysRevB.100.094426

(31)   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: 10.1103/PhysRevB.99.214427

(32)   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: 10.1103/PhysRevMaterials.2.104415

(33)   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: 10.1103/PhysRevB.97.134418 

(34)   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: 10.1021/acsnano.8b04869

(35)   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: 10.1021/acs.nanolett.8b01003

(36)   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: 10.1103/PhysRevB.95.125204 

(37)   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: 10.1007/s11664-016-5277-8

(38)   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: 10.1103/PhysRevB.96.205158

(39)   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: 10.1103/PhysRevB.95.035146

(40)   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: 10.1103/PhysRevB.93.161112

(41)   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: 10.1038/ncomms13039

(42)   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: 10.1103/PhysRevB.91.134107

(43)   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: 10.7566/JPSJ.84.034709

(44)   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: 10.1103/PhysRevLett.115.037602 

(45)   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). DOI: 10.7566/JPSJ.84.054701

(46)   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: 10.1103/PhysRevB.92.014116

(47)   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: 10.7566/JPSJ.83.094712

(48)   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: 10.7566/JPSJ.83.094712

(49)   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: 10.1038/ncomms5927

(50)   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: 10.1103/PhysRevB.91.039901

(51)   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: 10.1103/PhysRevB.87.224430

(52)   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: 10.1088/0953-8984/25/6/066001

(53)   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: 10.1103/PhysRevB.87.014403

(54)   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: 10.7566/JPSJ.82.094718

(55)   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: 10.1103/PhysRevB.88.035110

(56)   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: 10.1088/0953-8984/25/38/385901

(57)   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: 10.7566/JPSJ.82.113703

(58)   K. Yamauchi*, “Theoretical Prediction of Multiferroicity in SmBaMn2O6, J. Phys. Soc. Jpn. 82, 043702/1-4 (2013) [Letter]. DOI: 10.7566/JPSJ.82.043702

(59)   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: 10.1016/j.physb.2012.01.006

(60)   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: 10.1103/PhysRevB.85.085131

(61)   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: 10.1103/PhysRevB.85.214119

(62)   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: 10.1143/JPSJ.80.014709

(63)   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: 10.1103/PhysRevLett.106.077201

(64)   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: 10.1103/PhysRevB.84.054440

(65)   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: 10.1063/1.3657526

(66)   K. Yamauchi*, P. Barone, and S. Picozzi, “Theoretical investigation of magnetoelectric effects in Ba2CoGe2O7, Phys. Rev. B 84, 165137/1-6 (2011). DOI: 10.1103/PhysRevB.84.165137

(67)   K. Yamauchi*, A. Yanase and H. Harima, “Bandstructure and Fermi Surfaces of CeRh3B2”, J. Phys. Soc. Jpn. 79, 044717/1-8 (2010). DOI: 10.1143/JPSJ.79.044717

(68)   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: 10.1103/PhysRevLett.105.107202

(69)   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: 10.1103/PhysRevB.81.024110

(70)   T. Fukushima, K. Yamauchi, S. Picozzi, “Magnetically induced ferroelectricity in Cu2MnSnS4 and Cu2MnSnSe4”, Phys. Rev. B 82, 014102/1-6 (2010). DOI: 10.1103/PhysRevB.82.014102

(71)   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: 10.1103/PhysRevLett.103.127201

(72)   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: 10.1002/adma.200901381

(73)   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: 10.1103/PhysRevB.79.212404

(74)   K. Yamauchi and S. Picozzi*, “Magnetically induced ferroelectricity in TbMnO3: Inverse Goodenough-Kanamori interaction”, J. Phys.: Condens. Matter 21, 064203/1-7 (2009).

DOI: 10.1088/0953-8984/21/6/064203

(75)   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: 10.1103/PhysRevB.78.134528

(76)   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: 10.1103/PhysRevB.78.014403

(77)   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: 10.1103/PhysRevB.76.214514

(78)   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: 10.1103/PhysRevLett.99.227201 (Times cited: 208)

(79)   K. Yamauchi, B. Sanyal, S. Picozzi*, “Interface effects at a half-metal/ferroelectric junction”, Appl. Phys. Lett. 91, 062506/1-3(2007). DOI: 10.1063/1.2767776

(80)   K. Yamauchi*, H. Harima and A. Yanase, “Fermi surfaces of CeRh3B2: An LSDA+U study”, Physica B 378-80, 688/1-2 (2006). DOI: 10.1016/j.physb.2006.01.221

(81)   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: 10.1103/PhysRevB.74.094402

(82)   K. Yamauchi*, H. Harima, “Bandstructure calculations and Fermi surfaces of RNi2B2C”, Physica B 359, 597/1-3 (2005). DOI: 10.1016/j.physb.2005.01.162

(83)   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: 10.1016/j.physc.2003.12.029

(84)   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: 10.1143/JPSJ.72.2029

 

[プロシーディングス]

(85)   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). 

 

[総説(レビュー)論文]

(86)   K. Yamauchi* and P. Barone, “Electronic ferroelectricity induced by charge and orbital orderings”, J. Phys.: Condens. Matter 26, 103201/1-17 (2014). [Topical Review] DOI: 10.1088/0953-8984/26/10/103201

(87)   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: 10.1088/0953-8984/20/43/434208