Physical insights on transistors based on lateral heterostructures of monolayer and multilayer PtSe2 via Ab initio modelling of interfaces

Abstract Lateral heterostructures (LH) of monolayer-multilayer regions of the same noble transition metal dichalcogenide, such as platinum diselenide (PtSe2), are promising options for the fabrication of efficient two-dimensional field-effect transistors (FETs), by exploiting the dependence of the e...

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Autores principales:	Gaetano Calogero, Damiano Marian, Enrique G. Marin, Gianluca Fiori, Giuseppe Iannaccone
Formato:	article
Lenguaje:	EN
Publicado:	Nature Portfolio 2021
Materias:	Medicine R Science Q
Acceso en línea:	https://doaj.org/article/3e32c241a2ac4294b0bb66cc3c683312
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spelling	oai:doaj.org-article:3e32c241a2ac4294b0bb66cc3c6833122021-12-02T18:02:31ZPhysical insights on transistors based on lateral heterostructures of monolayer and multilayer PtSe2 via Ab initio modelling of interfaces10.1038/s41598-021-98080-y2045-2322https://doaj.org/article/3e32c241a2ac4294b0bb66cc3c6833122021-09-01T00:00:00Zhttps://doi.org/10.1038/s41598-021-98080-yhttps://doaj.org/toc/2045-2322Abstract Lateral heterostructures (LH) of monolayer-multilayer regions of the same noble transition metal dichalcogenide, such as platinum diselenide (PtSe2), are promising options for the fabrication of efficient two-dimensional field-effect transistors (FETs), by exploiting the dependence of the energy gap on the number of layers and the intrinsically high quality of the heterojunctions. Key for future progress in this direction is understanding the effects of the physics of the lateral interfaces on far-from-equilibrium transport properties. In this work, a multi-scale approach to device simulation, capable to include ab-initio modelling of the interfaces in a computationally efficient way, is presented. As an application, p- and n-type monolayer-multilayer PtSe2 LH-FETs are investigated, considering design parameters such as channel length, number of layers and junction quality. The simulations suggest that such transistors can provide high performance in terms of subthreshold characteristics and switching behavior, and that a single channel device is not capable, even in the ballistic defectless limit, to satisfy the requirements of the semiconductor roadmap for the next decade, and that stacked channel devices would be required. It is shown how ab-initio modelling of interfaces provides a reliable physical description of charge displacements in their proximity, which can be crucial to correctly predict device transport properties, especially in presence of strong dipoles, mixed stoichiometries or imperfections.Gaetano CalogeroDamiano MarianEnrique G. MarinGianluca FioriGiuseppe IannacconeNature PortfolioarticleMedicineRScienceQENScientific Reports, Vol 11, Iss 1, Pp 1-11 (2021)
institution	DOAJ
collection	DOAJ
language	EN
topic	Medicine R Science Q
spellingShingle	Medicine R Science Q Gaetano Calogero Damiano Marian Enrique G. Marin Gianluca Fiori Giuseppe Iannaccone Physical insights on transistors based on lateral heterostructures of monolayer and multilayer PtSe2 via Ab initio modelling of interfaces
description	Abstract Lateral heterostructures (LH) of monolayer-multilayer regions of the same noble transition metal dichalcogenide, such as platinum diselenide (PtSe2), are promising options for the fabrication of efficient two-dimensional field-effect transistors (FETs), by exploiting the dependence of the energy gap on the number of layers and the intrinsically high quality of the heterojunctions. Key for future progress in this direction is understanding the effects of the physics of the lateral interfaces on far-from-equilibrium transport properties. In this work, a multi-scale approach to device simulation, capable to include ab-initio modelling of the interfaces in a computationally efficient way, is presented. As an application, p- and n-type monolayer-multilayer PtSe2 LH-FETs are investigated, considering design parameters such as channel length, number of layers and junction quality. The simulations suggest that such transistors can provide high performance in terms of subthreshold characteristics and switching behavior, and that a single channel device is not capable, even in the ballistic defectless limit, to satisfy the requirements of the semiconductor roadmap for the next decade, and that stacked channel devices would be required. It is shown how ab-initio modelling of interfaces provides a reliable physical description of charge displacements in their proximity, which can be crucial to correctly predict device transport properties, especially in presence of strong dipoles, mixed stoichiometries or imperfections.
format	article
author	Gaetano Calogero Damiano Marian Enrique G. Marin Gianluca Fiori Giuseppe Iannaccone
author_facet	Gaetano Calogero Damiano Marian Enrique G. Marin Gianluca Fiori Giuseppe Iannaccone
author_sort	Gaetano Calogero
title	Physical insights on transistors based on lateral heterostructures of monolayer and multilayer PtSe2 via Ab initio modelling of interfaces
title_short	Physical insights on transistors based on lateral heterostructures of monolayer and multilayer PtSe2 via Ab initio modelling of interfaces
title_full	Physical insights on transistors based on lateral heterostructures of monolayer and multilayer PtSe2 via Ab initio modelling of interfaces
title_fullStr	Physical insights on transistors based on lateral heterostructures of monolayer and multilayer PtSe2 via Ab initio modelling of interfaces
title_full_unstemmed	Physical insights on transistors based on lateral heterostructures of monolayer and multilayer PtSe2 via Ab initio modelling of interfaces
title_sort	physical insights on transistors based on lateral heterostructures of monolayer and multilayer ptse2 via ab initio modelling of interfaces
publisher	Nature Portfolio
publishDate	2021
url	https://doaj.org/article/3e32c241a2ac4294b0bb66cc3c683312
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Physical insights on transistors based on lateral heterostructures of monolayer and multilayer PtSe2 via Ab initio modelling of interfaces

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