四川大学学报（自然科学版）2007，Vol.44Issue(4)：930-932,3.
氧化钙高压弹性常数的理论计算
Theoretical calculation of elastic constants of CaO under high pressure
摘要
Abstract
The elastic properties of fcc structure CaO are investigated by ab initio plane-wave pseudopotential density functional theory method and the quasi-harmonic Debye model. The equilibrium lattice parameters obtained are consistent with the experimental data and those by others. The dependences of the elastic constants,the aggregate elastic modulus,and the elastic anisotropic parameter on pressure have also been discussed. Our results agree well with those by Tsuchiya and Kawamura.关键词
弹性常数/各向异性/氧化钙Key words
elastic constants/anisotropy/CaO分类
数理科学引用本文复制引用
程艳,邓烨,逯来玉..氧化钙高压弹性常数的理论计算[J].四川大学学报（自然科学版）,2007,44(4):930-932,3.基金项目
国家自然科学基金(10576020) （10576020）
