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Tuning Electronic Properties of the SiC-GeC Bilayer by External Electric Field: A First-Principles Study

First-principles calculations were used to investigate the electronic properties of the SiC/GeC nanosheet (the thickness was about 8 Å). With no electric field (E-field), the SiC/GeC nanosheet was shown to have a direct bandgap of 1.90 eV. In the band structure, the valence band of the SiC/GeC nanos...

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Detalles Bibliográficos
Autores principales: Luo, Min, Yu, Bin, Xu, Yu-e
Formato: Online Artículo Texto
Lenguaje:English
Publicado: MDPI 2019
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6562555/
https://www.ncbi.nlm.nih.gov/pubmed/31071940
http://dx.doi.org/10.3390/mi10050309
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author Luo, Min
Yu, Bin
Xu, Yu-e
author_facet Luo, Min
Yu, Bin
Xu, Yu-e
author_sort Luo, Min
collection PubMed
description First-principles calculations were used to investigate the electronic properties of the SiC/GeC nanosheet (the thickness was about 8 Å). With no electric field (E-field), the SiC/GeC nanosheet was shown to have a direct bandgap of 1.90 eV. In the band structure, the valence band of the SiC/GeC nanosheet was mainly made up of C-p, while the conduction band was mainly made up of C-p, Si-p, and Ge-p, respectively. Application of the E-field to the SiC/GeC nanosheet was found to facilitate modulation of the bandgap, regularly reducing it to zero, which was linked to the direction and strength of the E-field. The major bandgap modulation was attributed to the migration of C-p, Si-p, and Ge-p orbitals around the Fermi level. Our conclusions might give some theoretical guidance for the development and application of the SiC/GeC nanosheet.
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spelling pubmed-65625552019-06-17 Tuning Electronic Properties of the SiC-GeC Bilayer by External Electric Field: A First-Principles Study Luo, Min Yu, Bin Xu, Yu-e Micromachines (Basel) Article First-principles calculations were used to investigate the electronic properties of the SiC/GeC nanosheet (the thickness was about 8 Å). With no electric field (E-field), the SiC/GeC nanosheet was shown to have a direct bandgap of 1.90 eV. In the band structure, the valence band of the SiC/GeC nanosheet was mainly made up of C-p, while the conduction band was mainly made up of C-p, Si-p, and Ge-p, respectively. Application of the E-field to the SiC/GeC nanosheet was found to facilitate modulation of the bandgap, regularly reducing it to zero, which was linked to the direction and strength of the E-field. The major bandgap modulation was attributed to the migration of C-p, Si-p, and Ge-p orbitals around the Fermi level. Our conclusions might give some theoretical guidance for the development and application of the SiC/GeC nanosheet. MDPI 2019-05-08 /pmc/articles/PMC6562555/ /pubmed/31071940 http://dx.doi.org/10.3390/mi10050309 Text en © 2019 by the authors. Licensee MDPI, Basel, Switzerland. This article is an open access article distributed under the terms and conditions of the Creative Commons Attribution (CC BY) license (http://creativecommons.org/licenses/by/4.0/).
spellingShingle Article
Luo, Min
Yu, Bin
Xu, Yu-e
Tuning Electronic Properties of the SiC-GeC Bilayer by External Electric Field: A First-Principles Study
title Tuning Electronic Properties of the SiC-GeC Bilayer by External Electric Field: A First-Principles Study
title_full Tuning Electronic Properties of the SiC-GeC Bilayer by External Electric Field: A First-Principles Study
title_fullStr Tuning Electronic Properties of the SiC-GeC Bilayer by External Electric Field: A First-Principles Study
title_full_unstemmed Tuning Electronic Properties of the SiC-GeC Bilayer by External Electric Field: A First-Principles Study
title_short Tuning Electronic Properties of the SiC-GeC Bilayer by External Electric Field: A First-Principles Study
title_sort tuning electronic properties of the sic-gec bilayer by external electric field: a first-principles study
topic Article
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6562555/
https://www.ncbi.nlm.nih.gov/pubmed/31071940
http://dx.doi.org/10.3390/mi10050309
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