ORIGIN AND ABINITIO EVALUATION OF MAGNETIC-INTERACTIONS IN RARE-EARTH INTERMETALLICS

被引:23
作者
BROOKS, MSS [1 ]
NORDSTROM, L [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
10.1088/0953-8984/3/19/018
中图分类号
O469 [凝聚态物理学];
学科分类号
070205 ;
摘要
The interaction, K(RM), between the rare earth 4f moment and the transition metal 3d moments in the series RFe2 (R = Gd-Yb) is shown to depend upon the R-5d moment, which is due to 3d-5d hybridization and local 4f-5d exchange integrals. K(RM) is calculated ab initio from density functional theory and is in excellent agreement with values extracted from inelastic neutron scattering experiments.
引用
收藏
页码:3393 / 3396
页数:4
相关论文
共 14 条
[1]   LINEAR METHODS IN BAND THEORY [J].
ANDERSEN, OK .
PHYSICAL REVIEW B, 1975, 12 (08) :3060-3083
[2]   3D-5D BAND MAGNETISM IN RARE-EARTH TRANSITION-METAL INTERMETALLICS - LUFE2 [J].
BROOKS, MSS ;
ERIKSSON, O ;
JOHANSSON, B .
JOURNAL OF PHYSICS-CONDENSED MATTER, 1989, 1 (34) :5861-5874
[3]   EXCHANGE INTEGRAL MATRICES AND COHESIVE ENERGIES OF TRANSITION-METAL ATOMS [J].
BROOKS, MSS ;
JOHANSSON, B .
JOURNAL OF PHYSICS F-METAL PHYSICS, 1983, 13 (10) :L197-L202
[4]  
Buschow K. H. J., 1980, Ferromagnetic materials. A handbook on the properties of magnetically ordered substances, vol.1, P297, DOI 10.1016/S1567-2719(80)01007-4
[5]  
Clark A. E., 1980, Ferromagnetic materials. A handbook on the properties of magnetically ordered substances, vol.1, P531, DOI 10.1016/S1567-2719(80)01010-4
[6]  
GOVORD D, 1987, EUROPHYS NEWS, V18, P93
[7]   BAND MODEL FOR MAGNETISM OF TRANSITION-METALS IN SPIN-DENSITY FUNCTIONAL FORMALISM [J].
GUNNARSSON, O .
JOURNAL OF PHYSICS F-METAL PHYSICS, 1976, 6 (04) :587-606
[8]   INHOMOGENEOUS ELECTRON-GAS [J].
RAJAGOPAL, AK ;
CALLAWAY, J .
PHYSICAL REVIEW B, 1973, 7 (05) :1912-1919
[9]   UNIFORM SUSCEPTIBILITIES OF METALLIC ELEMENTS [J].
JANAK, JF .
PHYSICAL REVIEW B, 1977, 16 (01) :255-262
[10]   SELF-CONSISTENT EQUATIONS INCLUDING EXCHANGE AND CORRELATION EFFECTS [J].
KOHN, W ;
SHAM, LJ .
PHYSICAL REVIEW, 1965, 140 (4A) :1133-&