Magnetic state effect upon the order-disorder phase transition in Fe-Co alloys: A first-principles study

被引：28

作者：

Rahaman, Moshiour ^{[1
,2
]}

Ruban, A. V. ^{[1
]}

Mookerjee, Abhijit ^{[3
]}

Johansson, B. ^{[1
]}

机构：

[1] Royal Inst Technol, Dept Mat Sci & Engn, SE-10044 Stockholm, Sweden

[2] SN Bose Natl Ctr Basic Sci, Dept Mat Sci, Kolkata 700098, India

[3] SN Bose Natl Ctr Basic Sci, Adv Mat Res Unit, Kolkata 700098, India

来源：

PHYSICAL REVIEW B | 2011年 / 83卷 / 05期

基金：

瑞典研究理事会;

关键词：

SHORT-RANGE ORDER; FERROMAGNETIC BINARY-ALLOYS; ALPHA-GAMMA-TRANSITIONS; IRON-COBALT ALLOYS; METAL ALLOYS; ELECTRONIC-STRUCTURE; POTENTIAL MODEL; DEPENDENCE; TEMPERATURE; EQUILIBRIA;

D O I：

10.1103/PhysRevB.83.054202

中图分类号：

T [工业技术];

学科分类号：

08 ;

摘要：

We investigate the effect of global magnetization on the effective cluster interactions and order-disorder phase transition in FexCo1-x alloys. The effective cluster interactions are obtained by the screened generalized perturbation method as it is implemented in the exact muffin-tin orbitals formalism within the coherent potential approximation. The ordering transition from the high-temperature disordered body-centered cubic alloy to the ordered B2 phase is determined by Monte Carlo simulations. The calculated transition temperatures are in good agreement with the available experimental data for the effective interactions, which correspond to the experimentally observed magnetization at the order-disorder phase transition.

引用

页数：8

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