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dc.contributor.authorSattar, Shahid
dc.contributor.authorZhang, Yongyou
dc.contributor.authorSchwingenschlögl, Udo
dc.date.accessioned2018-12-31T13:28:07Z
dc.date.available2018-12-31T13:28:07Z
dc.date.issued2018-08-23
dc.identifier.citationSattar S, Zhang Y, Schwingenschlögl U (2018) Stacking Effects in van der Waals Heterostructures of Silicene and Hexagonal Boron Nitride. Advanced Theory and Simulations 1: 1800083. Available: http://dx.doi.org/10.1002/adts.201800083.
dc.identifier.issn2513-0390
dc.identifier.doi10.1002/adts.201800083
dc.identifier.urihttp://hdl.handle.net/10754/630503
dc.description.abstractThe stacking effects on the electronic structure of van der Waals heterostructures consisting of silicene and hexagonal boron nitride are investigated by first-principles calculations. It is shown that the stacking is fundamental for the details of the dispersion relation in the vicinity of the Fermi energy (gapped, non-gapped, linear, parabolic) despite small differences in the total energy. It is also demonstrated that the tight-binding model of bilayer graphene is able to capture most of these features of the van der Waals heterostructures, and the limitations of the model are identified.
dc.description.sponsorshipThe research reported in this publication was supported by funding from King Abdullah University of Science and Technology (KAUST). Fruitful discussions with Qingyun Zhang and Nirpendra Singh are gratefully acknowledged.
dc.publisherWiley
dc.relation.urlhttps://onlinelibrary.wiley.com/doi/full/10.1002/adts.201800083
dc.subjecthexagonal boron nitride
dc.subjectheterostructures
dc.subjectsilicene
dc.subjectstacking
dc.titleStacking Effects in van der Waals Heterostructures of Silicene and Hexagonal Boron Nitride
dc.typeArticle
dc.contributor.departmentComputational Physics and Materials Science (CPMS)
dc.contributor.departmentMaterial Science and Engineering Program
dc.contributor.departmentPhysical Science and Engineering (PSE) Division
dc.identifier.journalAdvanced Theory and Simulations
dc.contributor.institutionBeijing Key Lab of Nanophotonics and Ultrafine Optoelectronic Systems and School of Physics; Beijing Institute of Technology; Beijing 100081 China
kaust.personSattar, Shahid
kaust.personSchwingenschlögl, Udo
dc.date.published-online2018-08-23
dc.date.published-print2018-11


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