Electronic structure in uniform magnetic field and topological invariance

• Project/Area Number: 23540460
• Research Category: Grant-in-Aid for Scientific Research (C)
• Allocation Type: Multi-year Fund
• Section: 一般
• Research Field: Mathematical physics/Fundamental condensed matter physics
• Research Institution: National Institute for Materials Science
• Principal Investigator: ARAI Masao 独立行政法人物質・材料研究機構, 理論計算科学ユニット, 主幹研究員 (40222723)
• Co-Investigator(Kenkyū-buntansha): HATSUGAI Yasuhiro 筑波大学, 数理物質科学研究科, 教授 (80218495)
• Project Period (FY): 2011 – 2013
• Project Status: Completed (Fiscal Year 2013)
• Budget Amount: ¥5,200,000 (Direct Cost: ¥4,000,000、Indirect Cost: ¥1,200,000); Fiscal Year 2013: ¥910,000 (Direct Cost: ¥700,000、Indirect Cost: ¥210,000); Fiscal Year 2012: ¥1,690,000 (Direct Cost: ¥1,300,000、Indirect Cost: ¥390,000); Fiscal Year 2011: ¥2,600,000 (Direct Cost: ¥2,000,000、Indirect Cost: ¥600,000)
• Keywords: 電子構造

Research Abstract

(1) We extended a computer program which calculates electronic structures in uniform magnetic field. Using both MPI and OpenMP, the modified code can run effectively on standard workstation cluster.
(2) An expression for orbital-magnetic moments was derived from Wannier function description. In magnetic field, Wannier function is dressed with phase factors. Using this basis set, magnetic moments were calculated as the derivative of thermodynamic function by applied uniform magnetic field.
(3) Using above results. the magnetic breakdowns were investigated.

Research Products

• [Journal Article] The effect of the interlayer element on the exfoliation of layered Mo(2)AC (A = Al, Si, P, Ga, Ge, As or In) MAX phases into two dimensional Mo2C nanosheets (2014)
  • Author(s): M. Khazaei, M. Arai, T. Sasaki, M. Estill, and Y. Sakka
  • Journal Title: Sci. Tec. Adv. Mater Volume: 15 Pages: 14208-14208
  • Peer Reviewed
• [Journal Article] The effect of the interlayer element on the exfoliation of layered Mo 2AC (A = Al, Si, P, Ga, Ge, As or In) MAX phases into two-dimensional Mo2C nanosheets (2014)
  • Author(s): M. Khazaei, M. Arai, T. Sasaki, M. Estili, Y. Sakka
  • Journal Title: Science and Technology of Advanced Materials Volume: 15 Issue: 1 Pages: 14208-14208
  • DOI: 10.1088/1468-6996/15/1/014208
  • Peer Reviewed
• [Journal Article] Novel Electronic and Magnetic Properties of Two-Dimensional Transition Metal Carbides and Nitrides (2013)
  • Author(s): M. Khazaei, M. Arai, T. Sasaki, C.-Y. Chung, N. S. Venkataramanan, M. Estili, Y. Sakka, and Y. Kawazoe
  • Journal Title: Advanced Functional Materials Volume: 23 Pages: 2185-2192
  • Peer Reviewed
• [Journal Article] Numerical study of electronic structure under uniform magnetic field and quantized Hall conductance for multi-band tightbinding models (2011)
  • Author(s): M. Arai, Y. Hatsugai
  • Journal Title: J. Phys. : Conf. Ser Volume: 334 Pages: 12042-12042
  • Peer Reviewed
• [Journal Article] Numerical study of electronic structure under uniform magnetic field and quantized Hall conductance for multi-band tight-binding models (2011)
  • Author(s): M.Arai, Y.Hatsugai
  • Journal Title: J.Phys. : Conf.Ser. Volume: 334 Pages: 12042-12042
  • DOI: 10.1088/1742-6596/334/1/012042
  • Peer Reviewed
• [Presentation] Electronic structure of periodic lattice under uniform magnetic field : quantized Hall conductance and orbital magnetic moment (2013)
  • Author(s): M. Arai and Y. Hatsugai
  • Organizer: EQPCM2013
  • Place of Presentation: 東京大学物性研究所
  • Year and Date: 2013-06-13
• [Presentation] Electronic structure of periodic lattice under uniform magnetic field: quantized Hall conductance and orbital magnetic moment (2013)
  • Author(s): 新井正男、初貝安弘
  • Organizer: EQPCM2013
  • Place of Presentation: 東京大学物性研究所
• [Presentation] 周期系による軌道磁化 (2012)
  • Author(s): 新井正男, 初貝安弘
  • Organizer: 日本物理学会2012年秋季分科会
  • Place of Presentation: 横浜国立大学
  • Year and Date: 2012-09-18
• [Presentation] 周期系における軌道磁化
  • Author(s): 新井正男、初貝安広
  • Organizer: 日本物理学会2012年秋季大会
  • Place of Presentation: 横浜国立大