模数
物理
弹性模量
结晶学
热力学
量子力学
化学
作者
Seongbok Lee,D. M. Bylander,Leonard Kleinman
出处
期刊:Physical review
[American Physical Society]
日期:1992-02-15
卷期号:45 (7): 3245-3247
被引量:71
标识
DOI:10.1103/physrevb.45.3245
摘要
We have calculated the bulk modulus and all the elastic moduli that can be obtained from uniaxial strains of ${\mathrm{B}}_{12}$, ${\mathrm{B}}_{12}$${\mathrm{C}}_{3}$, ${\mathrm{B}}_{13}$${\mathrm{C}}_{2}$, ${\mathrm{B}}_{12}$${\mathrm{O}}_{2}$, and ${\mathrm{B}}_{12}$${\mathrm{As}}_{2}$. All atoms are allowed to relax to their equilibrium positions under strain and the errors incurred by failure to do so are revealed.
科研通智能强力驱动
Strongly Powered by AbleSci AI