NaCl的Gruneisen参数及其随压力变化的计算

吴绍曾; 张程祥; 吴立新

doi:10.11858/gywlxb.1987.02.009

NaCl的Gruneisen参数及其随压力变化的计算

doi: 10.11858/gywlxb.1987.02.009

吉林大学固体物理教研室，吉林长春 130023

详细信息

通讯作者:
吴绍曾

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出版历程
- 收稿日期: 1986-06-13
- 修回日期: 1986-06-13
- 发布日期: 1987-12-05

Calculation of the Gruneisen Parameter and Its Pressure Dependence for NaCl

Research Group of Solid State Physics, Jilin University, Changchun 130023, China

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Corresponding author: WU Shao-Zeng

摘要

摘要: 本文利用刚性离子模型计算了NaCl的Gruneisen参数及其随压力的变化。计算中，使用了我们以前成功地计算了状态方程的离子势：对最近邻排斥势分别使用了两种形式的修正的Born-Mayer势，并利用电子气理论的计算结果处理了次近邻排斥势和关联势的影响。所得到的结果与实验符合的程度是令人满意的。
- Gruneisen参数 /
- 高压 /
- 离子势
Abstract: The Gruneisen parameter and its pressure dependence for NaCl are calculated by using the rigid-ion model. In the calculation a new form of potential energy, which has been used previously to successfully calculate the equation of state of NaCl, is adopted as follows. Two forms of modified Born-Mayer potential are used as the functional forms of the repulsive energy between the nearest neighbor ions and the correlation energy are also taken into account by using the data from the electronic gas model. The agreement of our results with the experimental data is satisfactory.
- Gruneisen parameter /
- high pressure /
- interion potential

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参考文献(8)

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