Band gap of β-PtO2 from first-principles

AIP Advances

Volumn 2, Issue 2, 2012, Pages

  Yang, Yong ^a   Sugino, Osamu ^a,b   Ohno, Takahisa ^a  

^a NATIONAL INSTITUTE FOR MATERIALS SCIENCE   (Japan)

^b UNIVERSITY OF TOKYO   (Japan)

Author keywords

[No Author keywords available]

Indexed keywords

CALCULATIONS; CHEMICAL BONDS; DENSITY FUNCTIONAL THEORY; PLATINUM COMPOUNDS;

BONDING CHARACTERISTICS; FIRST PRINCIPLES; FIRST-PRINCIPLES CALCULATION; GENERALIZED GRADIENT APPROXIMATIONS; GGA + U; HYBRID FUNCTIONAL;

ENERGY GAP;

EID: 84874094817     PISSN: None     EISSN: 21583226     Source Type: Journal    
DOI: 10.1063/1.4733348     Document Type: Article

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