Theory of the ferromagnetism in Ti1-xCrxN solid solutions

被引：34

作者：

Alling, B. ^{[1
]}

机构：

[1] Linkoping Univ, IFM, Dept Phys Chem & Biol, SE-58183 Linkoping, Sweden

来源：

PHYSICAL REVIEW B | 2010年 / 82卷 / 05期

基金：

瑞典研究理事会;

关键词：

AUGMENTED-WAVE METHOD; HARD COATINGS; PHASE-STABILITY; ALLOYS; CRN; 1ST-PRINCIPLES; METALS; TIN; TRANSITIONS; DEPOSITION;

D O I：

10.1103/PhysRevB.82.054408

中图分类号：

T [工业技术];

学科分类号：

08 ;

摘要：

First-principles calculations are used to investigate the magnetic properties of Ti1-xCrxN solid solutions. We show that the magnetic interactions between Cr spins that favor antiferromagnetism in CrN is changed upon alloying with TiN leading to the appearance of ferromagnetism in the system at approximately x <= 0.50 in agreement with experimental reports. Furthermore we suggest that this effect originates in an electron density redistribution from Ti to Cr that decreases the polarization of Cr d states with t(2g) symmetry while it increases the polarization of Cr d states with e(g) symmetry, both changes working in favor of ferromagnetism.

引用

页数：9

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