摘要
利用离子重叠-压缩模型以及对晶体结合能的变分计算方法,计算了碱金属氢化物LiH、NaH和KH晶体中描述H^-离子状态的参数β及其相对离子半径随压力的变化规律。得到的结果表明,未加外压力时,晶体中的H^-离子相对其孤立状态就已明显被压缩,而且压缩变化规律几乎与具体的晶体结构无关。这两点结论物理上都是合理的,并间接被同时得到的物态方程及结构相变压力的理论值与实验结果符合得非常好这一事实所证实。
By using the ionic overlap-compression model, the parameter β describing the state of H- by ions in the alkali hydride crystals (LiH, NaH and KH) was calculated by variational method. Then the numerical relations of β and the relative radius of H- ions with the pressure were determined. The results show that the compression of H- ions has occured before the pressure is added, and the compression law almost has nothing to do with the crystal structures. These two points are physically reasonable and were confirmed indirectly by the experiments.
出处
《高压物理学报》
CAS
CSCD
北大核心
1993年第3期161-166,共6页
Chinese Journal of High Pressure Physics
关键词
碱金属氢化物
压缩规律
氢离子
H-ion, alkali hydrides, compression behaviour.
