从头算
材料科学
从头算量子化学方法
结晶学
化学
物理
分子
量子力学
作者
Shaoqing Wang,Hengqiang Ye
标识
DOI:10.1088/0953-8984/15/30/312
摘要
The elastic constants of lonsdaleite C, Si and Ge are calculated by using the plane-wave pseudopotential method in the scheme of density functional theory and the local density approximation. For comparison, the elastic constants of the cubic diamond phases of these elements, zincblende SiC and 6H-SiC, are also calculated.
科研通智能强力驱动
Strongly Powered by AbleSci AI