A comparative study of density functional and density functional tight binding calculations of defects in graphene

Physica Status Solidi (B) Basic Research

Volumn 249, Issue 2, 2012, Pages 276-282

  Zobelli, Alberto ^a   Ivanovskaya, Viktoria ^b   Wagner, Philipp ^b   Suarez Martinez, Irene ^c   Yaya, Abu ^b   Ewels, Chris P ^b  

^a UNIVERSITÉ PARIS SUD   (France)

^b UNIVERSITÉ DE NANTES   (France)

^c CURTIN UNIVERSITY   (Australia)

Author keywords

Defects; DFTB; Edges; Graphene; Irradiation

Indexed keywords

BINDING ENERGY; DEFECT STRUCTURES; DEFECTS; ELECTRON IRRADIATION; IRRADIATION;

COMPARATIVE STUDIES; DENSITY FUNCTIONAL TIGHT BINDINGS; DENSITY FUNCTIONALS; DFTB; EDGES; ELECTRON IRRADIATION DAMAGE; NUDGED ELASTIC BAND; STONE-WALES DEFECTS;

GRAPHENE;

EID: 84856049563     PISSN: 03701972     EISSN: 15213951     Source Type: Journal    
DOI: 10.1002/pssb.201100630     Document Type: Article

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