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Title: Electronic structure of graphene– and BN–supported phosphorene
Authors: Kistanov, Andrey A.
Saadatmand, Danial
Dmitriev, Sergey V.
Zhou, Kun
Korznikova, Elena A.
Davletshin, Artur R.
Ustiuzhanina, Svetlana V.
Keywords: Phosphorene–graphene
DRNTU::Engineering::Mechanical engineering
Ab Initio Calculations
Issue Date: 2018
Source: Davletshin, A. R., Ustiuzhanina, S. V., Kistanov, A. A., Saadatmand, D., Dmitriev, S. V., Zhou, K., & Korznikova, E. A. (2018). Electronic structure of graphene– and BN–supported phosphorene. Physica B: Condensed Matter, 534, 63-67. doi:10.1016/j.physb.2018.01.039
Series/Report no.: Physica B: Condensed Matter
Abstract: By using first–principles calculations, the effects of graphene and boron nitride (BN) substrates on the electronic properties of phosphorene are studied. Graphene–supported phosphorene is found to be metallic, while the BN–supported phosphorene is a semiconductor with a moderate band gap of 1.02 eV. Furthermore, the effects of the van der Waals interactions between the phosphorene and graphene or BN layers by means of the interlayer distance change are investigated. It is shown that the interlayer distance change leads to significant band gap size modulations and direct-indirect band gap transitions in the phosphorene–BN heterostructure. The presented band gap engineering of phosphorene may be a powerful technique for the fabrication of high–performance phosphorene–based nanodevices.
ISSN: 0921-4526
DOI: 10.1016/j.physb.2018.01.039
Rights: © 2018 Elsevier B.V. All rights reserved. This paper was published in Physica B: Condensed Matter and is made available with permission of Elsevier B.V.
Fulltext Permission: open
Fulltext Availability: With Fulltext
Appears in Collections:MAE Journal Articles

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