Electronic, Optical, and Thermoelectric Properties of Bulk and Monolayer Germanium Tellurides

Electronic, optical, and thermoelectric properties of germanium tellurides (GeTe) were investigated through a series of first-principles calculations of band structures, absorption coefficients, and thermoelectric transport coefficients. We consider bulk GeTe to consist of cubic and rhombohedral pha...

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Autores principales:	Wenny V. Sinambela, Sasfan A. Wella, Fitri S. Arsyad, Nguyen Tuan Hung, Ahmad R. T. Nugraha
Formato:	article
Lenguaje:	EN
Publicado:	MDPI AG 2021
Materias:	group-IV tellurides germanium telluride electronic properties optical properties thermoelectric properties first-principles calculation Crystallography QD901-999
Acceso en línea:	https://doaj.org/article/0d2d7067f7144213879e1549d33e5870
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spelling	oai:doaj.org-article:0d2d7067f7144213879e1549d33e58702021-11-25T17:17:45ZElectronic, Optical, and Thermoelectric Properties of Bulk and Monolayer Germanium Tellurides10.3390/cryst111112902073-4352https://doaj.org/article/0d2d7067f7144213879e1549d33e58702021-10-01T00:00:00Zhttps://www.mdpi.com/2073-4352/11/11/1290https://doaj.org/toc/2073-4352Electronic, optical, and thermoelectric properties of germanium tellurides (GeTe) were investigated through a series of first-principles calculations of band structures, absorption coefficients, and thermoelectric transport coefficients. We consider bulk GeTe to consist of cubic and rhombohedral phases, while the two-dimensional (2D) GeTe monolayers can form as a 2D puckered or buckled honeycomb crystals. All of the GeTe variants in the bulk and monolayer shapes are excellent light absorbers in a wide frequency range: (1) bulk cubic GeTe in the near-infrared regime, (2) bulk rhombohedral GeTe and puckered monolayer GeTe in the visible-light regime, and (3) buckled monolayer GeTe in the ultraviolet regime. We also found specifically that the buckled monolayer GeTe exhibits remarkable thermoelectric performance compared to the other GeTe phases due to a combination of electronic band convergence, a moderately wide band gap, and unique 2D density of states from the quantum confinement effect.Wenny V. SinambelaSasfan A. WellaFitri S. ArsyadNguyen Tuan HungAhmad R. T. NugrahaMDPI AGarticlegroup-IV telluridesgermanium tellurideelectronic propertiesoptical propertiesthermoelectric propertiesfirst-principles calculationCrystallographyQD901-999ENCrystals, Vol 11, Iss 1290, p 1290 (2021)
institution	DOAJ
collection	DOAJ
language	EN
topic	group-IV tellurides germanium telluride electronic properties optical properties thermoelectric properties first-principles calculation Crystallography QD901-999
spellingShingle	group-IV tellurides germanium telluride electronic properties optical properties thermoelectric properties first-principles calculation Crystallography QD901-999 Wenny V. Sinambela Sasfan A. Wella Fitri S. Arsyad Nguyen Tuan Hung Ahmad R. T. Nugraha Electronic, Optical, and Thermoelectric Properties of Bulk and Monolayer Germanium Tellurides
description	Electronic, optical, and thermoelectric properties of germanium tellurides (GeTe) were investigated through a series of first-principles calculations of band structures, absorption coefficients, and thermoelectric transport coefficients. We consider bulk GeTe to consist of cubic and rhombohedral phases, while the two-dimensional (2D) GeTe monolayers can form as a 2D puckered or buckled honeycomb crystals. All of the GeTe variants in the bulk and monolayer shapes are excellent light absorbers in a wide frequency range: (1) bulk cubic GeTe in the near-infrared regime, (2) bulk rhombohedral GeTe and puckered monolayer GeTe in the visible-light regime, and (3) buckled monolayer GeTe in the ultraviolet regime. We also found specifically that the buckled monolayer GeTe exhibits remarkable thermoelectric performance compared to the other GeTe phases due to a combination of electronic band convergence, a moderately wide band gap, and unique 2D density of states from the quantum confinement effect.
format	article
author	Wenny V. Sinambela Sasfan A. Wella Fitri S. Arsyad Nguyen Tuan Hung Ahmad R. T. Nugraha
author_facet	Wenny V. Sinambela Sasfan A. Wella Fitri S. Arsyad Nguyen Tuan Hung Ahmad R. T. Nugraha
author_sort	Wenny V. Sinambela
title	Electronic, Optical, and Thermoelectric Properties of Bulk and Monolayer Germanium Tellurides
title_short	Electronic, Optical, and Thermoelectric Properties of Bulk and Monolayer Germanium Tellurides
title_full	Electronic, Optical, and Thermoelectric Properties of Bulk and Monolayer Germanium Tellurides
title_fullStr	Electronic, Optical, and Thermoelectric Properties of Bulk and Monolayer Germanium Tellurides
title_full_unstemmed	Electronic, Optical, and Thermoelectric Properties of Bulk and Monolayer Germanium Tellurides
title_sort	electronic, optical, and thermoelectric properties of bulk and monolayer germanium tellurides
publisher	MDPI AG
publishDate	2021
url	https://doaj.org/article/0d2d7067f7144213879e1549d33e5870
work_keys_str_mv	AT wennyvsinambela electronicopticalandthermoelectricpropertiesofbulkandmonolayergermaniumtellurides AT sasfanawella electronicopticalandthermoelectricpropertiesofbulkandmonolayergermaniumtellurides AT fitrisarsyad electronicopticalandthermoelectricpropertiesofbulkandmonolayergermaniumtellurides AT nguyentuanhung electronicopticalandthermoelectricpropertiesofbulkandmonolayergermaniumtellurides AT ahmadrtnugraha electronicopticalandthermoelectricpropertiesofbulkandmonolayergermaniumtellurides
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Electronic, Optical, and Thermoelectric Properties of Bulk and Monolayer Germanium Tellurides

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