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

Recent emergence of 2D materials (the so-called van der Waals materials), of which graphene is the most famous one, opens new routes in creation of novel materials by mere layer-by-layer combinations. Moreover, a growth of such materials is typically done on a substrate. In both cases structures app...

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Vydáno v:	Computer physics communications Ročník 197; s. 324 - 334
Hlavní autor:	Lazić, Predrag
Médium:	Journal Article
Jazyk:	angličtina
Vydáno:	Elsevier B.V 01.12.2015
Témata:	Commensurate structures Density functional theory Electronic structure Epitaxial growth Moiré patterns van der Waals materials van der Waals materials Moiré patterns Density functional theory Electronic structure Commensurate structures Epitaxial growth
ISSN:	0010-4655, 1879-2944
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