Spin polarization, orbital occupation and band gap opening in vanadium dioxide: The effect of screened Hartree-Fock exchange

Chemical Physics Letters

Volumn 608, Issue , 2014, Pages 126-129

  Wang, Hao ^a   Mellan, Thomas A ^b   Grau Crespo, Ricardo ^c   Schwingenschlögl, Udo ^a  

^a KING ABDULLAH UNIVERSITY OF SCIENCE AND TECHNOLOGY   (Saudi Arabia)

^b UNIVERSITY COLLEGE LONDON   (United Kingdom)

^c UNIVERSITY OF READING   (United Kingdom)

Author keywords

[No Author keywords available]

Indexed keywords

OXIDE MINERALS; SEMICONDUCTOR INSULATOR BOUNDARIES;

DENSITY FUNCTIONALS; HARTREE-FOCK EXCHANGES; HYBRID FUNCTIONAL; LOW TEMPERATURES; MONOCLINIC PHASE; ORBITAL OCCUPATION; STABLE SOLUTIONS; VANADIUM DIOXIDE;

SPIN POLARIZATION;

EID: 84903170660     PISSN: 00092614     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.cplett.2014.05.070     Document Type: Article

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