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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...

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Autores principales: Gopalan, Sanjay, Gaddemane, Gautam, Van de Put, Maarten L., Fischetti, Massimo V.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: MDPI 2019
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.
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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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