Bond deformation paths and electronic instabilities of ultraincompressible transition metal diborides: Case study of OsB_2 and IrB_2

著录项

• 来源
  《Physical review》 |2014年第9期|094115.1-094115.6|共6页
• 作者

  R. F. Zhang; D. Legut; X. D. Wen; S. Veprek; K. Rajan; T. Lookman; H. K. Mao; Y. S. Zhao;

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• 作者单位

  School of Materials Science and Engineering, and International Research Institute for Multidisciplinary Science, Beihang University,Beijing 100191, P. R. China,Theoretical division, Los Alamos National Laboratory, Los Alamos, New Mexico 87545, USA,Department of Materials Science and Engineering, Iowa State University, Ames, IA50010, USA;

  Nanotechnology Centre, VSB-Technical University of Ostrava, CZ-708 33 Ostrava, Czech Republic;

  Theoretical division, Los Alamos National Laboratory, Los Alamos, New Mexico 87545, USA,State Key Laboratory of Coal Conversion, Institute of Coal Chemistry, Chinese Academy of Sciences, P.O. Box 165, Taiyuan, Shanxi 030001,P. R. China & Synfuels China, Beijing 100195, P. R. China;

  Department of Chemistry, Technical University Munich, Lichtenbergstr. 4, D-85747 Garching, Germany;

  Department of Materials Science and Engineering, Iowa State University, Ames, IA50010, USA;

  Theoretical division, Los Alamos National Laboratory, Los Alamos, New Mexico 87545, USA;

  Geophysical Laboratory, Carnegie Institution of Washington, NW Washington, DC 20015, USA,Center for High Pressure Science and Technology Advanced Research, Shanghai 201203, P. R. China;

  HiPSEC, Department of Physics and Astronomy, University of Nevada, Las Vegas, NV 89154, USA;

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• 原文格式 PDF
• 正文语种 eng
• 中图分类
• 关键词

  theory of crystal structure, crystal symmetry; calculations and modeling; other inorganic compounds;

  机译：晶体结构理论;晶体对称性;计算和建模;其他无机化合物;