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Elasticity, ideal tensile strength and lattice dynamics of LuH2 dihydride from first-principles investigations

  • 【作者】Yang, Jinwen,An, Li
  • 【刊名】International Journal of Hydrogen Energy
  • 【作者单位】1 Department of Physics, Taiyuan Normal University, Taiyuan 030031, China
  • 【年份】2016
  • 【卷号】Vol.41 No.4
  • 【页码】2720-2726
  • 【ISSN】0360-3199
  • 【关键词】Elasticity Tension Phonon LuH DFT 
  • 【摘要】 The structure, elasticity, tensile strength, phonon and thermodynamic properties of LuH 2 with CaF 2 structure have been investigated by using first-principles approach. The calculated lattice parameters and the single-crystal elastic constants of ...
  • 【文献类型】 期刊
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