摘要
用同步辐射角度色散X射线衍射实验方法,以硅油为传压介质,在金刚石对顶砧中研究了LiFePO_4的高压结构和状态方程.实验发现LiFePO_4在常压下的橄榄石结构一直保持到最高压力30.2 GPa.如果将K_0’固定为4,则0到30.2 GPa压力范围拟合得到LiFePO_4的体弹模量为153(2) GPa.我们用第一性原理计算了LiFePO_4的高压压缩行为,理论计算得到的体弹模量是126 GPa.
In this paper,the high - pressure structure and equation of state of LiFePO4 is investigated in diamond anvil cell by synchrotron radiation angular dispersion X - ray diffraction with silicone oil as pressure transfer medium.It is found that the olivine structure of LiFePO4 at atmospheric pressure remained to the maximum pressure of 30.2 GPa.When the first derivative of the bulk modulus is fixed at 4,the derived bulk modulus of LiFePO4 is 153 (2) GPa.In addition,the compressive behavior of LiFePO4 under high pressure is calculated by the first principle.The bulk modulus obtained by the theoretical calculation is 126 GPa.
作者
熊伦
XIONG Lun(Intelligent Manufacturing School of Sichuan University of Arts and Sciences;Dazhou Industrial Technology Institute of Intelligent Manufacturing,Dazhou Sichuan 635000,China)
出处
《四川文理学院学报》
2019年第2期36-41,共6页
Sichuan University of Arts and Science Journal
基金
中国科学院基金(批准号:KJCX2-SW-N03
KJCX2-SW-N20)
四川省教育厅科研项目(18ZB0506)
四川文理学院科研项目(2017KZ001Z)
