Electronic structure calculations in ordered and disordered solids with spiral magnetic order

被引：9
|
作者：
Mankovsky, S. [1 ]
Fecher, G. H. [2 ]
Ebert, H. [1 ]
机构：
[1] Univ Munich, Dept Chem, D-81377 Munich, Germany
[2] Johannes Gutenberg Univ Mainz, Inst Anorgan Chem & Analyt Chem, D-55099 Mainz, Germany
来源：
PHYSICAL REVIEW B | 2011年 / 83卷 / 14期
关键词：
SPIN SUSCEPTIBILITY CALCULATIONS; BAND-STRUCTURE CALCULATIONS; NONCOLLINEAR MAGNETISM; EXCHANGE INTERACTIONS; TRANSITION-METALS; ALLOYS; FE; NI; FLUCTUATIONS; TEMPERATURE;
D O I：
10.1103/PhysRevB.83.144401
中图分类号：
T [工业技术];
学科分类号：
08 ;
摘要：
A scheme to calculate the electronic structure of systems having a spiral magnetic structure is presented. The approach is based on the Korringa-Kohn-Rostoker Green's function formalism which allows, in combination with the coherent potential approximation alloy theory, dealing with chemically disordered materials. It is applied to the magnetic random alloys FexNi1-x, FexCo1-x, and FexMn1-x. For these systems the stability of their magnetic structure was analyzed. For FexNi1-x the spin stiffness for was determined as a function of concentration that was found in satisfying agreement with experiment. Performing spin spiral calculations the longitudinal momentum-dependent magnetic susceptibility was calculated for pure elemental systems (Cr, Ni) in the nonmagnetic state as well as for random alloys (AgxPt1-x). The obtained susceptibility was used to analyze the stability of the paramagnetic state of these systems.
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页数：9
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