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Ideal strength, phonon stability and thermodynamics of the CrB-type CaXIV (XIV = Si, Ge, and Sn) binary compounds

  • 【作者】Jin-Wen Yang,Li An
  • 【刊名】Journal of Alloys and Compounds
  • 【作者单位】Department of Physics, Taiyuan Normal University, Taiyuan 030031, People\'s Republic of China
  • 【年份】2017
  • 【卷号】Vol.712
  • 【页码】296-302
  • 【ISSN】0925-8388
  • 【关键词】Ideal strength Lattice dynamics Thermodynamics CaX 
  • 【摘要】 We reported a theoretical investigation of the ideal strengths, dynamical and thermodynamic properties of the CrB-type CaX IV (X IV = Si, Ge, and Sn) alkaline-earth metal compounds by employing density functional theory (DFT) and density functional...
  • 【文献类型】 期刊
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