First-principles calculations on third-order elastic constants and internal relaxation for monolayer graphene

Physica B: Condensed Matter

Volumn 405, Issue 16, 2010, Pages 3501-3506

  Wang, Rui ^a   Wang, Shaofeng ^a   Wu, Xiaozhi ^a   Liang, Xiao ^a  

^a CHONGQING UNIVERSITY   (China)

Author keywords

First principles calculations; Graphene; Internal relaxation; Third order elastic constants

Indexed keywords

AB INITIO CALCULATIONS; ANOMALOUS REGIONS; ATOMIC FORCE MICROSCOPES; ATOMISTIC SIMULATIONS; DFT CALCULATION; FIRST-PRINCIPLES; FIRST-PRINCIPLES CALCULATION; FIRST-PRINCIPLES CALCULATIONS; HOMOGENEOUS DEFORMATION; INTERNAL RELAXATION; LATTICE RELAXATION; MOLECULAR DYNAMICS SIMULATIONS; THIRD-ORDER; TIGHT BINDING; TOTAL-ENERGY CALCULATIONS;

DEFORMATION; DENSITY FUNCTIONAL THEORY; GRAPHENE; GRAPHITE; MOLECULAR DYNAMICS; MONOLAYERS;

ELASTIC CONSTANTS;

EID: 77955303526     PISSN: 09214526     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.physb.2010.05.032     Document Type: Article

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