Please use this identifier to cite or link to this item: http://hdl.handle.net/10995/102169
Title: Midgap states and band gap modification in defective graphene/h-BN heterostructures
Authors: Sachs, B.
Wehling, T. O.
Katsnelson, M. I.
Lichtenstein, A. I.
Issue Date: 2016
Publisher: American Physical Society
Citation: Midgap states and band gap modification in defective graphene/h-BN heterostructures / B. Sachs, T. O. Wehling, M. I. Katsnelson, et al. — DOI 10.1103/PhysRevB.94.224105 // Physical Review B. — 2016. — Vol. 94. — Iss. 22. — 224105.
Abstract: The role of defects in van der Waals heterostructures made of graphene and hexagonal boron nitride (h-BN) is studied using a combination of ab initio and model calculations. Despite the weak van der Waals interaction between layers, defects residing in h-BN, such as carbon impurities and antisite defects, reveal a hybridization with graphene pz states, leading to midgap state formation. The induced midgap states modify the transport properties of graphene and can be reproduced by means of a simple effective tight-binding model. In contrast to carbon defects, it is found that oxygen defects do not strongly hybridize with graphene's low-energy states. Instead, oxygen drastically modifies the band gap of graphene, which emerges in a commensurate stacking on h-BN lattices. © 2016 American Physical Society.
URI: http://hdl.handle.net/10995/102169
Access: info:eu-repo/semantics/openAccess
SCOPUS ID: 85007494422
PURE ID: 1449458
ISSN: 24699950
DOI: 10.1103/PhysRevB.94.224105
Appears in Collections:Научные публикации, проиндексированные в SCOPUS и WoS CC

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