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...

Full description

Bibliographic Details

Published in:	Computer physics communications Vol. 197; pp. 324 - 334
Main Author:	Lazić, Predrag
Format:	Journal Article
Language:	English
Published:	Elsevier B.V 01.12.2015
Subjects:	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
Online Access:	Get full text
Tags:	Add Tag No Tags, Be the first to tag this record!