Logo BSU

Please use this identifier to cite or link to this item: https://elib.bsu.by/handle/123456789/272014
Title: Electronic, optical, and thermoelectric properties of Janus In-based monochalcogenides
Authors: Vu, T. V.
Vi, V. T. T.
Phuc, H. V.
Nguyen, C. V.
Poklonski, N. A.
Duque, C. A.
Rai, D. P.
Hoi, B. D.
Hieu, N. N.
Keywords: ЭБ БГУ::ЕСТЕСТВЕННЫЕ И ТОЧНЫЕ НАУКИ::Физика
Issue Date: 2021
Publisher: IOP Publishing
Citation: Journal of Physics: Condensed Matter. – Vol. 33, № 22. – P. 225503 (1–13)
Abstract: Inspired by the successfully experimental synthesis of Janus structures recently, we systematically study the electronic, optical, and electronic transport properties of Janus monolayers In2XY (X/Y = S, Se, Te with X ≠ Y) in the presence of a biaxial strain and electric field using density functional theory. Monolayers In2XY are dynamically and thermally stable at room temperature. At equilibrium, both In2STe and In2SeTe are direct semiconductors while In2SSe exhibits an indirect semiconducting behavior. The strain significantly alters the electronic structure of In2XY and their photocatalytic activity. Besides, the indirect–direct gap transitions can be found due to applied strain. The effect of the electric field on optical properties of In2XY is negligible. Meanwhile, the optical absorbance intensity of the Janus In2XY monolayers is remarkably increased by compressive strain. Also, In2XY monolayers exhibit very low lattice thermal conductivities resulting in a high figure of merit ZT, which makes them potential candidates for room-temperature thermoelectric materials.
URI: https://elib.bsu.by/handle/123456789/272014
ISSN: 1361-648X
DOI: 10.1088/1361-648X/abf381
Scopus: 85105390704
Sponsorship: Vo T. T. Vi was funded by Vingroup Joint Stock Company and supported by the Domestic Master/PhD Scholarship Programme of Vingroup Innovation Foundation (VINIF), Vingroup Big Data Institute (VINBIGDATA), code VINIF.2020.TS.100. N. A. Poklonski was funded by the Belarusian National Research Program ‘Convergence-2025’. C. A. Duque acknowledges the financial support from El Patrimonio Autónomo Fondo Nacional de Financiamiento para la Ciencia, la Tecnología y la Innovación Francisco José de Caldas (project: CD 111580863338, CT FP80740-173-2019).
Licence: info:eu-repo/semantics/openAccess
Appears in Collections:Кафедра физики полупроводников и наноэлектроники (статьи)

Files in This Item:
File Description SizeFormat 
JPCM225503.pdf5,52 MBAdobe PDFView/Open
Show full item record Google Scholar



Items in DSpace are protected by copyright, with all rights reserved, unless otherwise indicated.