Magnetism and electronic structure of Cr-doped rutile TiO2 from first-principles calculations

Journal of Magnetism and Magnetic Materials

Volumn 313, Issue 1, 2007, Pages 210-213

  Gao, G Y ^a   Yao, K L ^a,b,c   Liu, Z L ^a   Zhang, J ^a   Li, X L ^a   Zhang, J Q ^a   Liu, N ^a  

^a HUAZHONG UNIVERSITY OF SCIENCE AND TECHNOLOGY   (China)

^b CCAST WORLD LABORATORY   (China)

^c INTERNATIONAL CENTRE FOR MATERIALS PHYSICS   (China)

Author keywords

Electronic structure; Ferromagnetism; First principles

Indexed keywords

CHROMIUM; DOPING (ADDITIVES); ELECTRONIC STRUCTURE; FERROMAGNETISM; GROUND STATE; LOCAL DENSITY APPROXIMATION; OXYGEN VACANCIES;

FIRST-PRINCIPLES CALCULATION; FULL POTENTIAL LINEARIZED AUGMENTED PLANE WAVE METHODS; HALF METALS;

TITANIUM DIOXIDE;

EID: 33947680331     PISSN: 03048853     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.jmmm.2006.12.027     Document Type: Article

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