Published November 2009
| Version v1
Journal article
The influence of nitrogen vacancies on the magnetic and electronic properties of ruthenium mononitride: First-principles study
- 1. Institute of Solid State Chemistry, Ural Branch of the Russian Academy of Sciences, 620990 Ekaterinburg (Russian Federation)
Description
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 t2g and eg 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.
Availability note (English)
Available from http://dx.doi.org/10.1016/j.jmmm.2009.07.008Additional details
Identifiers
- DOI
- 10.1016/j.jmmm.2009.07.008;
- PII
- S0304-8853(09)00706-9;
Publishing Information
- Journal Title
- Journal of Magnetism and Magnetic Materials
- Journal Volume
- 321
- Journal Issue
- 21
- Journal Page Range
- p. 3624-3629
- ISSN
- 0304-8853
- CODEN
- JMMMDC
INIS
- Country of Publication
- Netherlands
- Country of Input or Organization
- International Atomic Energy Agency (IAEA)
- INIS RN
- 41010082
- Subject category
- S36: MATERIALS SCIENCE;
- Descriptors DEI
- GROUND STATES; HYBRIDIZATION; IRON NITRIDES; MAGNETIC MOMENTS; NITROGEN; RUTHENIUM NITRIDES; VACANCIES
- Descriptors DEC
- CRYSTAL DEFECTS; CRYSTAL STRUCTURE; ELEMENTS; ENERGY LEVELS; IRON COMPOUNDS; NITRIDES; NITROGEN COMPOUNDS; NONMETALS; PNICTIDES; POINT DEFECTS; REFRACTORY METAL COMPOUNDS; RUTHENIUM COMPOUNDS; TRANSITION ELEMENT COMPOUNDS
Optional Information
- Copyright
- Copyright (c) 2009 Elsevier Science B.V., Amsterdam, The Netherlands, All rights reserved.