Effect of improved band-gap description in density functional theory on defect energy levels in α-quartz

Physica B: Condensed Matter

Volumn 401-402, Issue , 2007, Pages 670-673

  Alkauskas, Audrius ^a,b   Pasquarello, Alfredo ^a,b  

^a EPFL   (Switzerland)

^b INSTITUT ROMAND DE RECHERCHE NUMÉRIQUE EN PHYSIQUE DES MATÉRIAUX IRRMA   (Switzerland)

Author keywords

Band gap; Defects; Density functional theory; Hybrid functionals; Silicon oxide

Indexed keywords

DENSITY FUNCTIONAL THEORY; ELECTRON ENERGY LEVELS; ENERGY GAP; SILICON COMPOUNDS;

HARTREE-FOCK EXCHANGE; HYBRID FUNCTIONALS; SILICON OXIDE;

QUARTZ;

EID: 36048990339     PISSN: 09214526     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.physb.2007.09.048     Document Type: Article

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