通过第一性原理计算研究了六方晶系和正交晶系的Cr7C3的晶格参数、稳定性、力学性质及声速各向异性.化合物的结合能与形成焓的结果表明这些化合物都是热力学稳定结构.这些化合物的弹性常数与机械模量分别是根据应力-应变方法及Voigt-Reuss-Hill近似得到的.此外,还对六方Cr7C3与正交Cr7C3的声速各向异性及力学各向异性进行了探讨.
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