Cargando…

Stanene-hexagonal boron nitride heterobilayer: Structure and characterization of electronic property

The structural and electronic properties of stanene/hexagonal boron nitride (Sn/h-BN) heterobilayer with different stacking patterns are studied using first principle calculations within the framework of density functional theory. The electronic band structure of different stacking patterns shows a...

Descripción completa

Detalles Bibliográficos
Autores principales: Khan, Asir Intisar, Chakraborty, Trisha, Acharjee, Niloy, Subrina, Samia
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Nature Publishing Group UK 2017
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5703857/
https://www.ncbi.nlm.nih.gov/pubmed/29180696
http://dx.doi.org/10.1038/s41598-017-16650-5
_version_ 1783281758351917056
author Khan, Asir Intisar
Chakraborty, Trisha
Acharjee, Niloy
Subrina, Samia
author_facet Khan, Asir Intisar
Chakraborty, Trisha
Acharjee, Niloy
Subrina, Samia
author_sort Khan, Asir Intisar
collection PubMed
description The structural and electronic properties of stanene/hexagonal boron nitride (Sn/h-BN) heterobilayer with different stacking patterns are studied using first principle calculations within the framework of density functional theory. The electronic band structure of different stacking patterns shows a direct band gap of ~30 meV at Dirac point and at the Fermi energy level with a Fermi velocity of ~0.53 × 10(6) ms(−1). Linear Dirac dispersion relation is nearly preserved and the calculated small effective mass in the order of 0.05m(o) suggests high carrier mobility. Density of states and space charge distribution of the considered heterobilayer structure near the conduction and the valence bands show unsaturated π orbitals of stanene. This indicates that electronic carriers are expected to transport only through the stanene layer, thereby leaving the h-BN layer to be a good choice as a substrate for the heterostructure. We have also explored the modulation of the obtained band gap by changing the interlayer spacing between h-BN and Sn layer and by applying tensile biaxial strain to the heterostructure. A small increase in the band gap is observed with the increasing percentage of strain. Our results suggest that, Sn/h-BN heterostructure can be a potential candidate for Sn-based nanoelectronics and spintronic applications.
format Online
Article
Text
id pubmed-5703857
institution National Center for Biotechnology Information
language English
publishDate 2017
publisher Nature Publishing Group UK
record_format MEDLINE/PubMed
spelling pubmed-57038572017-11-30 Stanene-hexagonal boron nitride heterobilayer: Structure and characterization of electronic property Khan, Asir Intisar Chakraborty, Trisha Acharjee, Niloy Subrina, Samia Sci Rep Article The structural and electronic properties of stanene/hexagonal boron nitride (Sn/h-BN) heterobilayer with different stacking patterns are studied using first principle calculations within the framework of density functional theory. The electronic band structure of different stacking patterns shows a direct band gap of ~30 meV at Dirac point and at the Fermi energy level with a Fermi velocity of ~0.53 × 10(6) ms(−1). Linear Dirac dispersion relation is nearly preserved and the calculated small effective mass in the order of 0.05m(o) suggests high carrier mobility. Density of states and space charge distribution of the considered heterobilayer structure near the conduction and the valence bands show unsaturated π orbitals of stanene. This indicates that electronic carriers are expected to transport only through the stanene layer, thereby leaving the h-BN layer to be a good choice as a substrate for the heterostructure. We have also explored the modulation of the obtained band gap by changing the interlayer spacing between h-BN and Sn layer and by applying tensile biaxial strain to the heterostructure. A small increase in the band gap is observed with the increasing percentage of strain. Our results suggest that, Sn/h-BN heterostructure can be a potential candidate for Sn-based nanoelectronics and spintronic applications. Nature Publishing Group UK 2017-11-27 /pmc/articles/PMC5703857/ /pubmed/29180696 http://dx.doi.org/10.1038/s41598-017-16650-5 Text en © The Author(s) 2017 Open Access This article is licensed under a Creative Commons Attribution 4.0 International License, which permits use, sharing, adaptation, distribution and reproduction in any medium or format, as long as you give appropriate credit to the original author(s) and the source, provide a link to the Creative Commons license, and indicate if changes were made. The images or other third party material in this article are included in the article’s Creative Commons license, unless indicated otherwise in a credit line to the material. If material is not included in the article’s Creative Commons license and your intended use is not permitted by statutory regulation or exceeds the permitted use, you will need to obtain permission directly from the copyright holder. To view a copy of this license, visit http://creativecommons.org/licenses/by/4.0/.
spellingShingle Article
Khan, Asir Intisar
Chakraborty, Trisha
Acharjee, Niloy
Subrina, Samia
Stanene-hexagonal boron nitride heterobilayer: Structure and characterization of electronic property
title Stanene-hexagonal boron nitride heterobilayer: Structure and characterization of electronic property
title_full Stanene-hexagonal boron nitride heterobilayer: Structure and characterization of electronic property
title_fullStr Stanene-hexagonal boron nitride heterobilayer: Structure and characterization of electronic property
title_full_unstemmed Stanene-hexagonal boron nitride heterobilayer: Structure and characterization of electronic property
title_short Stanene-hexagonal boron nitride heterobilayer: Structure and characterization of electronic property
title_sort stanene-hexagonal boron nitride heterobilayer: structure and characterization of electronic property
topic Article
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5703857/
https://www.ncbi.nlm.nih.gov/pubmed/29180696
http://dx.doi.org/10.1038/s41598-017-16650-5
work_keys_str_mv AT khanasirintisar stanenehexagonalboronnitrideheterobilayerstructureandcharacterizationofelectronicproperty
AT chakrabortytrisha stanenehexagonalboronnitrideheterobilayerstructureandcharacterizationofelectronicproperty
AT acharjeeniloy stanenehexagonalboronnitrideheterobilayerstructureandcharacterizationofelectronicproperty
AT subrinasamia stanenehexagonalboronnitrideheterobilayerstructureandcharacterizationofelectronicproperty