EXCHANGE CORRELATION CORRECTION TO THE DIELECTRIC FUNCTION OF THE INHOMOGENEOUS ELECTRON-GAS

被引:16
作者
TAUT, M
机构
[1] Lab. of Atomic and Solid State Phys., Cornell Univ., Ithaca, NY
关键词
D O I
10.1088/0953-8984/4/48/014
中图分类号
O469 [凝聚态物理学];
学科分类号
070205 ;
摘要
Exchange-correlation (XC) and band structure corrections to the dielectric matrix are investigated simultaneously within the framework of non-local density functional theory. The XC correction is calculated in the weighted density approximation and band structure effects are taken into account in second order in the pseudopotential. Particular attention is devoted to the question of whether or not the minimum in the plasmon dispersion in caesium is connected with the hump in the static structure factor of the homogeneous electron ps near q = 2k(F), as concluded in a previous paper using frequency-momentum analysis. It was found that such a hump may lead to anomalies (in alkaline metals most probably minima) at those q that arc solutions of the equation \G - q\ = 2k(F), where G is any reciprocal lattice vector and k(F) is the Fermi momentum. In caesium, the location of the dominating minimum agrees with that of the experimental minimum, but its depth varies strongly for different homogeneous electron gas approximations.
引用
收藏
页码:9595 / 9614
页数:20
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