Effect of the order on the structural and magnetic properties of Fe-X (X=Al, Si) alloys with B2 structure

被引：3
|
作者：
Deniszczyk, J [1 ]
机构：
[1] Silesian Univ, Inst Phys & Chem Met, PL-40007 Katowice, Poland
来源：
ACTA PHYSICA POLONICA A | 2000年 / 98卷 / 05期
关键词：
D O I：
10.12693/APhysPolA.98.543
中图分类号：
O4 [物理学];
学科分类号：
0702 ;
摘要：
Previous ab initio super-cell calculations of the magnetic properties of the ordered Fe1-xAlx alloy in the B2 structure are extended to include the disordered state of the alloy and completed with the calculations for ordered and disordered Fe1-xSix alloys. The configurations of the Fe atoms in the anti-site (AS) positions of Fe-X super-cell with the antiferromagnetic order were found. The ground state of Fe1-xAlx with x similar or equal to 0.3 shows the antiferromagnetic order of the Fe-AS magnetic moments. The concentration dependence of the equilibrium lattice parameter and magnetic moment of Fe1-xXx in the ordered and disordered state differ qualitatively.
引用
收藏
页码：543 / 546
页数：4
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