高压下碳化锆的状态方程和结构相变研究  

Equation of state and phase transformation of ZrC under high pressure

作　　者：贾淇 熊伦 张俊然 JIA Qi;XIONG Lun;ZHANG Junran(School of Intelligent Manufacturing,Sichuan University of Arts and Science,Dazhou Sichuan 635000;Multidiscipline Research Center,Institute of High Energy Physics,Chinese Academy of Sciences,Beijing 100049;School of Physical Sciences,University of Chinese Academy of Sciences,Beijing 100049)

机构地区：[1]四川文理学院智能制造学院,四川达州635000 [2]中国科学院高能物理研究所多科学中心,北京100049 [3]中国科学院大学物理科学学院,北京100049

出　　处：《首都师范大学学报（自然科学版）》2021年第4期33-39,共7页Journal of Capital Normal University：Natural Science Edition

基　　金：中国科学院基金项目(KJCX2-SW-N03,KJCX2-SW-N20);四川文理学院博士专项基金项目(2019BS006Z)。

摘　　要：利用同步辐射X射线衍射方法,研究了金刚石对顶砧中碳化锆(ZrC)的状态方程和结构相变,通过密度泛函理论(DFT)计算了该材料的高压压缩行为.结果表明:ZrC在压强为10.3 GPa时,发生拓扑相变;在压强为13.7 GPa时,相变结束.此外,ZrC立方相的体弹模量为158.6(8.6)GPa,相变后的结构体弹模量为233.8(8.8)GPa.The equation of state and phase transformation of zirconium carbide(ZrC)in diamond anvil cell were studied by synchrotron radiation X‐ray diffraction.The high pressure compression behavior of ZrC was calculated by density functional theory(DFT).It is found that a topological phase transition occurs at 10.3 GPa and ends at 13.7 GPa.In addition,the derived bulk modulus of ZrC cubic phase is 158.6(8.6)GPa,and the bulk modulus after phase transition is 233.8(8.8)GPa.

关 键 词：碳化锆(ZrC) 高压 状态方程 拓扑相变 

分 类 号：O521[理学—高压高温物理]