MAGNETIC-STRUCTURE OF FCC IRON

被引:121
作者
MRYASOV, ON
LIECHTENSTEIN, AI
SANDRATSKII, LM
GUBANOV, VA
机构
[1] MAX PLANCK INST FESTKORPERFORSCH,W-7000 STUTTGART 80,GERMANY
[2] ACAD SCI USSR,INST MET PHYS,SVERDLOVSK 620219,USSR
关键词
D O I
10.1088/0953-8984/3/39/013
中图分类号
O469 [凝聚态物理学];
学科分类号
070205 ;
摘要
A generalization of the LMTO method for the case of crystals with spiral magnetic structure is suggested. The method is used for self-consistent calculations of electronic and magnetic properties of spiral magnetic configurations of FCC iron. The atomic volumes considered cover the region of known low-spin to high-spin transitions in ferromagnetic FCC iron. The dependence of electronic properties on the spiral vector and number of valence electrons is investigated. The total energy minimum corresponds to a non-collinear magnetic structure, in accordance with recent experimental data.
引用
收藏
页码:7683 / 7690
页数:8
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