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First-principles study of the structural, optical and thermal properties of AgGaSe2

  • 【获取途径】 OA资源
  • 【作者】H J Hou,F J Kong,J W Yang,L H Xie,S X Yang
  • 【刊名】Physica Scripta
  • 【作者单位】School of Materials Engineering, Yancheng Institute of Technology, Yancheng 224051, People's Republic of China;Department of Physics, Yancheng Institute of Technology, Yancheng 224051, People's Republic of China;Department of Physics, Taiyuan Normal University, Taiyuan 030031, People's Republic of China;Institute of Solid State Physics School of Physics Electronic Engineering, Sichuan Normal University, Chengdu 610066, People's Republic of China
  • 【年份】2014
  • 【卷号】Vol.89 No.6
  • 【页码】065703
  • 【ISSN】0031-8949
  • 【摘要】 We have calculated the structural, optical and thermal properties of an AgGaSe 2 crystal using ultrasoft pseudopotentials and the generalized gradient approximation (GGA). The calculated results are in good agreement with the available experimental ...
  • 【文献类型】 期刊
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