A calculation of the phonon frequencies in sodium
A calculation of the phonon frequencies in sodium
复制标题
钠中声子频率的计算
DOI：
10.1098/rspa.1965.0005
复制
发表时间：
1965
期刊：
影响因子：
--
通讯作者：
L. Sham
中科院分区：
文献类型：
--
作者：
L. Sham
钠的声子谱是用谐波近似计算的。离子之间的有效相互作用分为裸离子之间的直接二体力和由于传导电子的存在而产生的有效吸引力。对双声子过程的仔细处理包括基于赝势法计算电子-声子散射，以及通过具有屏蔽交换势的Hartree-Fock近似来计算由于电子之间的相互作用而产生的屏蔽效应。将钠的中子衍射测量结果与 Toya 之前的计算结果进行比较，结果显示总体上吻合良好。希望这种方法可以应用于其他一些金属。
The phonon spectrum of sodium is calculated in the harmonic approximation. The effective interaction between the ions is separated into direct two-body forces between bare ions and effective attraction due to the presence of conduction electrons. Careful treatment of the two-phonon processes includes the calculation of the electron-phonon scattering based on the pseudo-potential method and the screening effects due to the interaction between electrons by the Hartree-Fock approximation with a screened exchange potential. Comparison of the results for sodium with neutron diffraction measurements and a previous calculation by Toya shows good agreement on the whole. It is hoped that this method may be applied to some other metals.