CALCULATIONS OF THE SPIN SUSCEPTIBILITIES AND THEIR VOLUME DEPENDENCE FOR LI, NA, AND K

被引:34
作者
WILK, L [1 ]
MACDONALD, AH [1 ]
VOSKO, SH [1 ]
机构
[1] UNIV TORONTO,ERINDALE COLL,MISSISSAUGA L5L 1C6,ONTARIO,CANADA
关键词
D O I
10.1139/p79-149
中图分类号
O4 [物理学];
学科分类号
0702 ;
摘要
For a range of lattice parameters the Kohn-Sham equations were solved self-consistently in the muffin-tin and local spin density approximations for Li, Na, and K metals. The solutions were used to evaluate the spin susceptibilities chi //p via the variational principle of S. H. Vosko and J. P. Perdew for two choices of chi //h. For Li and K the volume dependence and absolute values of chi //p are in excellent agreement with experiment whereas for Na the RPA seems to be better. Calculations for K over an extended range of volumes show that non-linearity in chi //p sets in V/V//o equals 0. 9.
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页码:1065 / 1072
页数:8
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