The stability and the nonlinear elasticity of 2D hexagonal structures of Si and Ge from first-principles calculations

Physica B: Condensed Matter

Volumn 406, Issue 21, 2011, Pages 4080-4084

  Zhang, Huili ^a   Wang, Rui ^b  

^a KUNMING UNIVERSITY OF SCIENCE AND TECHNOLOGY   (China)

^b CHONGQING UNIVERSITY   (China)

Author keywords

2D hexagonal structures; First principles; Nonlinear elasticity; Phonon; Stability

Indexed keywords

2D-HEXAGONAL; BREAKING STRENGTH; DFT CALCULATION; FIRST-PRINCIPLES; FIRST-PRINCIPLES CALCULATION; FORCE-DISPLACEMENT BEHAVIOR; HEXAGONAL STRUCTURES; HOMOGENEOUS DEFORMATION; LINEAR APPROACH; LINEAR ELASTIC MODULI; NONLINEAR EFFECT; NONLINEAR ELASTICITY; NONLINEAR STRESS-STRAIN RELATIONSHIP; STRUCTURE OPTIMIZATION; THIRD-ORDER;

CALCULATIONS; CONVERGENCE OF NUMERICAL METHODS; CURVE FITTING; DENSITY FUNCTIONAL THEORY; ELASTIC MODULI; ELASTICITY; GERMANIUM; GRAPHENE; PHONONS; SILICON; STRUCTURAL OPTIMIZATION;

CRYSTAL ATOMIC STRUCTURE;

EID: 80052840882     PISSN: 09214526     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.physb.2011.07.052     Document Type: Article

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