Surface d0 half-metallicity of rocksalt MgN from first-principles

Journal of Alloys and Compounds

Volumn 546, Issue , 2013, Pages 119-123

  Gao, G Y ^a   Xu, Bin ^b   Chen, Zhi Yuan ^c   Yao, K L ^a  

^a HUAZHONG UNIVERSITY OF SCIENCE AND TECHNOLOGY   (China)

^b NORTH CHINA INSTITUTE OF WATER CONSERVANCY AND HYDROELECTRIC POWER   (China)

^c HUBEI UNIVERSITY OF SCIENCE AND TECHNOLOGY   (China)

Author keywords

First principles calculations; Half metallicity; Surface

Indexed keywords

ATOMIC MAGNETIC MOMENT; FIRST-PRINCIPLES CALCULATION; FULL-POTENTIAL LINEARIZED AUGMENTED PLANE WAVES; HALF-METALLIC; HALF-METALLIC FERROMAGNETISM; HALF-METALLICITY; ROCK SALT; SURFACE FREE ENERGY;

ASTROPHYSICS; SURFACES;

CALCULATIONS;

EID: 84866519405     PISSN: 09258388     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.jallcom.2012.08.090     Document Type: Article

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