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Structural, dynamical and thermodynamic properties of CdXP2 (X = Si, Ge) from first principles

  • 【作者】H. J. Hou,H. J. Zhu,S. P. Li,T. J. Li,L. Tian,J. W. Yang
  • 【刊名】Indian Journal of Physics
  • 【作者单位】1.School of Materials Engineering,Yancheng Institute of Technology,Yancheng,China;2.Yancheng Vocational Institute of Industry Technology,Yancheng,China;3.Department of Physics,Taiyuan Normal University,Taiyuan,China
  • 【年份】2018
  • 【卷号】Vol.92 No.3
  • 【页码】315-323
  • 【ISSN】0973-1458;0974-9845
  • 【关键词】CdXP Phonon Thermodynamic properties 
  • 【摘要】 The structural, elastic, dynamical and thermodynamic properties of CdXP 2 (X = Si, Ge) with chalcopyrite semiconductors have been calculated by using the projector augmented wave method within the generalized gradient approximation. The obtained lat...
  • 【文献类型】 期刊
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