Phase transformation in Si from semiconducting diamond to metallic β-Sn phase in QMC and DFT under hydrostatic and anisotropic stress

著录项

• 来源
  《Physical review》 |2010年第1期|P.014101.1-014101.9|共9页
• 作者

  R. G. Hennig; A. Wadehra; K. P. Driver; W. D. Parker; C. J. Umrigar; J. W. Wilkins;

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• 作者单位

  Department of Materials Science and Engineering, Cornell University, Ithaca, New York 14853-1501, USA Department of Physics, The Ohio State University, Columbus, Ohio 43210, USA;

  Department of Physics, The Ohio State University, Columbus, Ohio 43210, USA;

  Department of Physics, The Ohio State University, Columbus, Ohio 43210, USA;

  Department of Physics, The Ohio State University, Columbus, Ohio 43210, USA;

  Laboratory of Atomic and Solid State Physics, Cornell University, Ithaca, New York 14853, USA;

  Department of Physics, The Ohio State University, Columbus, Ohio 43210, USA;

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• 原文格式 PDF
• 正文语种 eng
• 中图分类
• 关键词

  density functional theory, local density approximation, gradient and other corrections; quantum monte carlo methods;

  机译：密度泛函理论;局部密度近似;梯度和其他校正;量子蒙特卡洛方法;