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Monte Carlo Study of Electronic Transport in Monolayer InSe
The absence of a band gap in graphene makes it of minor interest for field-effect transistors. Layered metal chalcogenides have shown great potential in device applications thanks to their wide bandgap and high carrier mobility. Interestingly, in the ever-growing library of two-dimensional (2D) mate...
Autores principales: | , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
MDPI
2019
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6947166/ https://www.ncbi.nlm.nih.gov/pubmed/31847429 http://dx.doi.org/10.3390/ma12244210 |
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author | Gopalan, Sanjay Gaddemane, Gautam Van de Put, Maarten L. Fischetti, Massimo V. |
author_facet | Gopalan, Sanjay Gaddemane, Gautam Van de Put, Maarten L. Fischetti, Massimo V. |
author_sort | Gopalan, Sanjay |
collection | PubMed |
description | The absence of a band gap in graphene makes it of minor interest for field-effect transistors. Layered metal chalcogenides have shown great potential in device applications thanks to their wide bandgap and high carrier mobility. Interestingly, in the ever-growing library of two-dimensional (2D) materials, monolayer InSe appears as one of the new promising candidates, although still in the initial stage of theoretical studies. Here, we present a theoretical study of this material using density functional theory (DFT) to determine the electronic band structure as well as the phonon spectrum and electron-phonon matrix elements. The electron-phonon scattering rates are obtained using Fermi’s Golden Rule and are used in a full-band Monte Carlo computer program to solve the Boltzmann transport equation (BTE) to evaluate the intrinsic low-field mobility and velocity-field characteristic. The electron-phonon matrix elements, accounting for both long- and short-range interactions, are considered to study the contributions of different scattering mechanisms. Since monolayer InSe is a polar piezoelectric material, scattering with optical phonons is dominated by the long-range interaction with longitudinal optical (LO) phonons while scattering with acoustic phonons is dominated by piezoelectric scattering with the longitudinal (LA) branch at room temperature (T = 300 K) due to a lack of a center of inversion symmetry in monolayer InSe. The low-field electron mobility, calculated considering all electron-phonon interactions, is found to be 110 cm(2)V(−1)s(−1), whereas values of 188 cm(2)V(−1)s(−1) and 365 cm(2)V(−1)s(−1) are obtained considering the long-range and short-range interactions separately. Therefore, the calculated electron mobility of monolayer InSe seems to be competitive with other previously studied 2D materials and the piezoelectric properties of monolayer InSe make it a suitable material for a wide range of applications in next generation nanoelectronics. |
format | Online Article Text |
id | pubmed-6947166 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2019 |
publisher | MDPI |
record_format | MEDLINE/PubMed |
spelling | pubmed-69471662020-01-13 Monte Carlo Study of Electronic Transport in Monolayer InSe Gopalan, Sanjay Gaddemane, Gautam Van de Put, Maarten L. Fischetti, Massimo V. Materials (Basel) Article The absence of a band gap in graphene makes it of minor interest for field-effect transistors. Layered metal chalcogenides have shown great potential in device applications thanks to their wide bandgap and high carrier mobility. Interestingly, in the ever-growing library of two-dimensional (2D) materials, monolayer InSe appears as one of the new promising candidates, although still in the initial stage of theoretical studies. Here, we present a theoretical study of this material using density functional theory (DFT) to determine the electronic band structure as well as the phonon spectrum and electron-phonon matrix elements. The electron-phonon scattering rates are obtained using Fermi’s Golden Rule and are used in a full-band Monte Carlo computer program to solve the Boltzmann transport equation (BTE) to evaluate the intrinsic low-field mobility and velocity-field characteristic. The electron-phonon matrix elements, accounting for both long- and short-range interactions, are considered to study the contributions of different scattering mechanisms. Since monolayer InSe is a polar piezoelectric material, scattering with optical phonons is dominated by the long-range interaction with longitudinal optical (LO) phonons while scattering with acoustic phonons is dominated by piezoelectric scattering with the longitudinal (LA) branch at room temperature (T = 300 K) due to a lack of a center of inversion symmetry in monolayer InSe. The low-field electron mobility, calculated considering all electron-phonon interactions, is found to be 110 cm(2)V(−1)s(−1), whereas values of 188 cm(2)V(−1)s(−1) and 365 cm(2)V(−1)s(−1) are obtained considering the long-range and short-range interactions separately. Therefore, the calculated electron mobility of monolayer InSe seems to be competitive with other previously studied 2D materials and the piezoelectric properties of monolayer InSe make it a suitable material for a wide range of applications in next generation nanoelectronics. MDPI 2019-12-14 /pmc/articles/PMC6947166/ /pubmed/31847429 http://dx.doi.org/10.3390/ma12244210 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 Gopalan, Sanjay Gaddemane, Gautam Van de Put, Maarten L. Fischetti, Massimo V. Monte Carlo Study of Electronic Transport in Monolayer InSe |
title | Monte Carlo Study of Electronic Transport in Monolayer InSe |
title_full | Monte Carlo Study of Electronic Transport in Monolayer InSe |
title_fullStr | Monte Carlo Study of Electronic Transport in Monolayer InSe |
title_full_unstemmed | Monte Carlo Study of Electronic Transport in Monolayer InSe |
title_short | Monte Carlo Study of Electronic Transport in Monolayer InSe |
title_sort | monte carlo study of electronic transport in monolayer inse |
topic | Article |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6947166/ https://www.ncbi.nlm.nih.gov/pubmed/31847429 http://dx.doi.org/10.3390/ma12244210 |
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