Elastic properties of cubic K₂B₁₂H₁₂ from theoretical calculations

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• 作者：Shina Li^a ; ^{snli@sxu.edu.cn} ; Shihang Li^b ; Xin Ju^c
• 关键词：CubicFm3¯ ; K2B12H12 ; First-principles ; Elastic properties
• 刊名：Journal of Alloys and Compounds
• 出版年：2017
• 出版时间：25 February 2017
• 年：2017
• 卷：695
• 期：Complete
• 页码：2916-2922
• 全文大小：1125 K
• 卷排序：695

文摘

Single elastic constants and polycrystalline elastic moduli are determined. Directional dependent Young's modulus and Poisson's ratio are exhibited. Mechanical stability and elastic anisotropy are analyzed. Debye temperature and sound velocity in [100], [110] and [111] are evaluated.