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Structural stability, electronic and thermodynamic properties of VOPO4 polymorphs from DFT+U calculations

Structural stability, electronic and thermodynamic properties of VOPO4 polymorphs from DFT+U calculations

Sun, Wei; Du, Jincheng
  • 期刊名称Computational Materials Science
  • 作者Sun, Wei; Du, Jincheng
  • 卷第126卷
  • 印刷ISSN0927-0256
  • 文件大小3094.85KB
  • 发表时间2017-01
  • DOI10.1016/j.commatsci.2016.09.046
  • 页码326-335
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