Electronic structure of graphene– and BN–supported phosphorene
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...
| Main Authors: | , , , , , , |
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| Format: | Journal Article |
| Language: | English |
| Published: |
2019
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| Subjects: | |
| Online Access: | https://hdl.handle.net/10356/90092 http://hdl.handle.net/10220/48390 |
| _version_ | 1811697489522196480 |
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| author | Kistanov, Andrey A. Saadatmand, Danial Dmitriev, Sergey V. Zhou, Kun Korznikova, Elena A. Davletshin, Artur R. Ustiuzhanina, Svetlana V. |
| author2 | School of Mechanical and Aerospace Engineering |
| author_facet | School of Mechanical and Aerospace Engineering Kistanov, Andrey A. Saadatmand, Danial Dmitriev, Sergey V. Zhou, Kun Korznikova, Elena A. Davletshin, Artur R. Ustiuzhanina, Svetlana V. |
| author_sort | Kistanov, Andrey A. |
| collection | NTU |
| description | 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. |
| first_indexed | 2024-10-01T07:56:04Z |
| format | Journal Article |
| id | ntu-10356/90092 |
| institution | Nanyang Technological University |
| language | English |
| last_indexed | 2024-10-01T07:56:04Z |
| publishDate | 2019 |
| record_format | dspace |
| spelling | ntu-10356/900922023-03-04T17:17:24Z Electronic structure of graphene– and BN–supported phosphorene Kistanov, Andrey A. Saadatmand, Danial Dmitriev, Sergey V. Zhou, Kun Korznikova, Elena A. Davletshin, Artur R. Ustiuzhanina, Svetlana V. School of Mechanical and Aerospace Engineering Phosphorene–graphene DRNTU::Engineering::Mechanical engineering Ab Initio Calculations 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. ASTAR (Agency for Sci., Tech. and Research, S’pore) MOE (Min. of Education, S’pore) Accepted version 2019-05-27T09:01:59Z 2019-12-06T17:40:29Z 2019-05-27T09:01:59Z 2019-12-06T17:40:29Z 2018 Journal Article 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 0921-4526 https://hdl.handle.net/10356/90092 http://hdl.handle.net/10220/48390 10.1016/j.physb.2018.01.039 en Physica B: Condensed Matter © 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. 12 p. application/pdf |
| spellingShingle | Phosphorene–graphene DRNTU::Engineering::Mechanical engineering Ab Initio Calculations Kistanov, Andrey A. Saadatmand, Danial Dmitriev, Sergey V. Zhou, Kun Korznikova, Elena A. Davletshin, Artur R. Ustiuzhanina, Svetlana V. Electronic structure of graphene– and BN–supported phosphorene |
| title | Electronic structure of graphene– and BN–supported phosphorene |
| title_full | Electronic structure of graphene– and BN–supported phosphorene |
| title_fullStr | Electronic structure of graphene– and BN–supported phosphorene |
| title_full_unstemmed | Electronic structure of graphene– and BN–supported phosphorene |
| title_short | Electronic structure of graphene– and BN–supported phosphorene |
| title_sort | electronic structure of graphene and bn supported phosphorene |
| topic | Phosphorene–graphene DRNTU::Engineering::Mechanical engineering Ab Initio Calculations |
| url | https://hdl.handle.net/10356/90092 http://hdl.handle.net/10220/48390 |
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