Elastic constants and anisotropy of RuB_2 under pressure  

作　　者：罗雰 傅敏 姬广富 陈向荣 

机构地区：[1]Institute of Atomic and Molecular Physics,Sichuan University [2]Laboratory for Shock Wave and Detonation Physics Research,Institute of Fluid Physics,Chinese Academy of Engineering Physics [3]International Centre for Materials Physics,Chinese Academy of Sciences

出　　处：《Chinese Physics B》2010年第2期418-423,共6页中国物理B（英文版）

基　　金：supported by the National Natural Science Foundation of China (Grant No. 10776022)

摘　　要：The structural, elastic constants and anisotropy of RuB2 under pressure are investigated by first-principles calculations based on the plane wave pseudopotential density functional theory method within the local density approximation （LDA） as well as the generalized gradient approximation （GGA） for exchange and correlation. The results accord well with the available experimental and other theoretical data. The elastic constants, elastic anisotropy, and Debye temperature ／varTheta as a function of pressure are presented. It is concluded that RuB2 is brittle in nature at low pressure, whereas it becomes ductile at higher pressures. An analysis for the calculated elastic constant has been made to reveal the mechanical stability of RuB2 up to 100~GPa.The structural, elastic constants and anisotropy of RuB2 under pressure are investigated by first-principles calculations based on the plane wave pseudopotential density functional theory method within the local density approximation （LDA） as well as the generalized gradient approximation （GGA） for exchange and correlation. The results accord well with the available experimental and other theoretical data. The elastic constants, elastic anisotropy, and Debye temperature ／varTheta as a function of pressure are presented. It is concluded that RuB2 is brittle in nature at low pressure, whereas it becomes ductile at higher pressures. An analysis for the calculated elastic constant has been made to reveal the mechanical stability of RuB2 up to 100~GPa.

关 键 词：elastic properties density functional theory RuB2 

分 类 号：O482.1[理学—固体物理]