科研費成果報告：第一原理手法による遷移金属酸化物人工超格子の大規模計算
研究に意欲のある大学院生・学類生を募集しています。
研究概要
（執筆中）
研究成果発表論文リスト
- F. Ishii, Y. P. Mizuta, T. Kato, T. Ozaki, H. Weng, and S. Onoda, First-principles study on cubic pyrochlore iridates Y2Ir2O7 and Pr2Ir2O7, in press J. Phys. Soc. Jpn (Letter).
- Y. P. Mizuta, and F. Ishii, Thermopower of Doped Quantum Anomalous Hall Insulators: The case of Dirac Hamiltonian, JPS Conf. Proc. 5, 011023 (2015).
- T. Kato, H. Kotaka, and F. Ishii, First-Principles Study of Topological Insulators A2B3(A=Bi and Sb, and B=O, S, Se and Te), JPS Conf. Proc. 5, 011022 (2015).
- M. Nishida, F. Ishii, H. Kotaka, and M. Saito, First-Principles Study of Rashba Effect in the (LaAlO3)2/(SrTiO3)2, Mol. Simul., in press, published online DOI:10.1080/08927022.2014.987986.
- M. Nishida, F. Ishii, M. Saito, Magnetism-Driven Electric Polarization of Multiferroic Quasi-One-Dimensional Ca3CoMnO6: First-Principles Study Using Density Functional Theory, J. Phys. Soc. Jpn., 83, 124711 (2014).
- T. Kato, H. Kotaka, and F. Ishii, First-principles study of surface states in topological insulators Bi2Te3 and Bi2Se3 :Film thickness dependence, Mol. Simul., in press, published online DOI:10.1080/08927022.2014.964476.
- F. Ishii, T. Onishi, and H. Kotaka, Spin-Orbit Interaction Effects in the Electronic Structure of B20-type CoSi: First-Principles Density Functional Study: JPS Conf. Proc. 3, 016019(1)-016019(6)(2014).
- Y. P. Mizuta, and F. Ishii, Contribution of Berry Curvature to Thermoelectric Effects: JPS Conf. Proc. 3, 017035(1)-017035(6)(2014).
- M. Nishida, F. Ishii, and M. Saito, First-principles study of Exchange Interaction in Ising-type Multiferroic Ca3CoMnO6: JPS Conf. Proc. 3, 014040(1)-014040(6)(2014).
- K. Sawada, F. Ishii, and M. Saito, First-principles study of carrier-induced ferromagnetism in bilayer and multilayer zigzag graphene nano ribbons, Appl. Phys. Lett. 104, 143111 (2014).
- M. A. Absor, H. Kotaka, F. Ishii, and M. Saito, Tunable Rashba effect on strained ZnO: First-principles density-functional study, Applied Physics Express 7, 053002(1)-053002(4) (2014).
外部発表
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今後の展望
（執筆中）