Crystal structures and band gap characters of h-BN polytypes predicted by the dispersion corrected DFT and GW method

Solid State Communications

Volumn 152, Issue 19, 2012, Pages 1817-1820

  Gao, Shang Peng ^a  

^a FUDAN UNIVERSITY   (China)

Author keywords

A. Boron nitride; D. Band gap; E. DFT; E. GW method

Indexed keywords

BAND ENERGY; DISPERSION CORRECTION; E. DFT; GEOMETRY OPTIMIZATION; GW METHOD; INDIRECT BAND GAP; MECHANICALLY STABLE; POLYTYPES; QUASIPARTICLE BAND STRUCTURES; VAN DER WALLS INTERACTIONS;

BORON NITRIDE; DENSITY FUNCTIONAL THEORY; DISPERSIONS;

ENERGY GAP;

EID: 84865315772     PISSN: 00381098     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.ssc.2012.07.022     Document Type: Article

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