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Volumn 197, Issue , 2015, Pages 324-334

CellMatch: Combining two unit cells into a common supercell with minimal strain

Author keywords

Commensurate structures; Density functional theory; Electronic structure; Epitaxial growth; Moir patterns; van der Waals materials

Indexed keywords

CELLS; COMPUTATION THEORY; CYTOLOGY; ELECTRONIC STRUCTURE; EPITAXIAL GROWTH; GRAPHENE; LATTICE CONSTANTS; VAN DER WAALS FORCES;

CODE SEARCH; COMMENSURATE STRUCTURE; LAYER BY LAYER; NOVEL MATERIALS; PERIODIC CELL; SUPER CELL; TIGHT BINDING; VAN DER WAALS;

DENSITY FUNCTIONAL THEORY;

EID: 84942988032 PISSN: 00104655 EISSN: None Source Type: Journal
DOI: 10.1016/j.cpc.2015.08.038 Document Type: Article

Times cited : (99)

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