DENSITY FUNCTIONAL THEORY OF MOLECULAR-FIELDS IN R-M SYSTEMS

被引:12
|
作者
BROOKS, MSS [1 ]
GASCHE, T [1 ]
AULUCK, S [1 ]
NORDSTROM, L [1 ]
SEVERIN, L [1 ]
TRYGG, J [1 ]
JOHANSSON, B [1 ]
机构
[1] UNIV UPPSALA, INST PHYS, CONDENSED MATTER THEORY GRP, S-75121 UPPSALA, SWEDEN
关键词
D O I
10.1016/0304-8853(92)90628-2
中图分类号
T [工业技术];
学科分类号
08 ;
摘要
In the local spin density approximation to the density functional theory the interaction, K(RM), between the rare-earth 4f moment and the transition metal 3d moments in rare earth-transition metal intermetallics is shown to depend on the R-5d moment and local 4f-5d exchange integrals. Detailed examples are given for the RFe2 (R = Gd-Yb) series. The calculated local exchange integrals are shown to be energy dependent and are then related to the molecular fields.
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页码:1381 / 1382
页数:2
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