The influence of nitrogen vacancies on the magnetic and electronic properties of ruthenium mononitride: First-principles study

被引：11

作者：

Bannikov, V. V. ^{[1
]}

Shein, I. R. ^{[1
]}

Medvedeva, N. I. ^{[1
]}

Ivanovskii, A. L. ^{[1
]}

机构：

[1] Russian Acad Sci, Inst Solid State Chem, Ural Branch, Ekaterinburg 620990, Russia

来源：

JOURNAL OF MAGNETISM AND MAGNETIC MATERIALS | 2009年 / 321卷 / 21期

关键词：

RuN; Nitrogen vacancy; Magnetism; First-principles calculation; NITRIDE; PHASES; FE;

D O I：

10.1016/j.jmmm.2009.07.008

中图分类号：

T [工业技术];

学科分类号：

08 ;

摘要：

We present FLAPW-GGA calculations of the magnetic and electronic properties of cubic RuNx (x = 1.0, 0.75 and 0.50). We find that RuN exhibits a ferromagnetic ground state and the local ruthenium magnetic moment abruptly decreases with nitrogen vacancies. The relative positions of t(2g) and e(g) states and the Ru 4d-N 2p hybridization in RuNx are discussed. We have also found that the magnetic behavior for RuNx vs. FeNx as dependent on the nitrogen vacancies content displays an opposite trend. (C) 2009 Elsevier B.V. All rights reserved.

引用

页码：3624 / 3629

页数：6

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