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Tunable Electronic Properties of Two-Dimensional GaSe(1−x)Te(x) Alloys

In this work, we performed a theoretical study on the electronic properties of monolayer GaSe [Formula: see text] Te [Formula: see text] alloys using the first-principles calculations. The substitution of Se by Te results in the modification of a geometric structure, charge redistribution, and bandg...

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Detalles Bibliográficos
Autores principales: Liu, Hsin-Yi, Wu, Jhao-Ying
Formato: Online Artículo Texto
Lenguaje:English
Publicado: MDPI 2023
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10005243/
https://www.ncbi.nlm.nih.gov/pubmed/36903697
http://dx.doi.org/10.3390/nano13050818
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author Liu, Hsin-Yi
Wu, Jhao-Ying
author_facet Liu, Hsin-Yi
Wu, Jhao-Ying
author_sort Liu, Hsin-Yi
collection PubMed
description In this work, we performed a theoretical study on the electronic properties of monolayer GaSe [Formula: see text] Te [Formula: see text] alloys using the first-principles calculations. The substitution of Se by Te results in the modification of a geometric structure, charge redistribution, and bandgap variation. These remarkable effects originate from the complex orbital hybridizations. We demonstrate that the energy bands, the spatial charge density, and the projected density of states (PDOS) of this alloy are strongly dependent on the substituted Te concentration.
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spelling pubmed-100052432023-03-11 Tunable Electronic Properties of Two-Dimensional GaSe(1−x)Te(x) Alloys Liu, Hsin-Yi Wu, Jhao-Ying Nanomaterials (Basel) Article In this work, we performed a theoretical study on the electronic properties of monolayer GaSe [Formula: see text] Te [Formula: see text] alloys using the first-principles calculations. The substitution of Se by Te results in the modification of a geometric structure, charge redistribution, and bandgap variation. These remarkable effects originate from the complex orbital hybridizations. We demonstrate that the energy bands, the spatial charge density, and the projected density of states (PDOS) of this alloy are strongly dependent on the substituted Te concentration. MDPI 2023-02-23 /pmc/articles/PMC10005243/ /pubmed/36903697 http://dx.doi.org/10.3390/nano13050818 Text en © 2023 by the authors. https://creativecommons.org/licenses/by/4.0/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 (https://creativecommons.org/licenses/by/4.0/).
spellingShingle Article
Liu, Hsin-Yi
Wu, Jhao-Ying
Tunable Electronic Properties of Two-Dimensional GaSe(1−x)Te(x) Alloys
title Tunable Electronic Properties of Two-Dimensional GaSe(1−x)Te(x) Alloys
title_full Tunable Electronic Properties of Two-Dimensional GaSe(1−x)Te(x) Alloys
title_fullStr Tunable Electronic Properties of Two-Dimensional GaSe(1−x)Te(x) Alloys
title_full_unstemmed Tunable Electronic Properties of Two-Dimensional GaSe(1−x)Te(x) Alloys
title_short Tunable Electronic Properties of Two-Dimensional GaSe(1−x)Te(x) Alloys
title_sort tunable electronic properties of two-dimensional gase(1−x)te(x) alloys
topic Article
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10005243/
https://www.ncbi.nlm.nih.gov/pubmed/36903697
http://dx.doi.org/10.3390/nano13050818
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