Accurate tight-binding Hamiltonian matrices from ab initio calculations: Minimal basis sets

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• 来源
  《Physical review》 |2016年第3期|035104.1-035104.9|共9页
• 作者

  Luis A. Agapito; Sohrab Ismail-Beigi; Stefano Curtarolo; Marco Fomari; Marco Buongiomo Nardelli;

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• 作者单位

  Department of Mechanical Engineering and Materials Science, Duke University, Durham, North Carolina 27708, USA, Department of Physics, University of North Texas, Denton, Texas 76203, USA;

  Department of Applied Physics and Center for Research on Interface Structures and Phenomena (CRISP), Yale University, New Haven, Connecticut 06511, USA;

  Center for Materials Genomics, Duke University, Durham, North Carolina 27708, USA, Materials Science, Electrical Engineering, Physics and Chemistry, Duke University, Durham, North Carolina 27708, USA;

  Center for Materials Genomics, Duke University, Durham, North Carolina 27708, USA, Department of Physics, Central Michigan University, Mt. Pleasant, Michigan 48859, USA;

  Department of Physics, University of North Texas, Denton, Texas 76203, USA, Center for Materials Genomics, Duke University, Durham, North Carolina 27708, USA;

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• 正文语种 eng
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