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Article

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

1
Department of Physics, Faculty of Mathematics and Natural Science, Sriwijaya University, Palembang 30862, Indonesia
2
Research Center for Physics, National Research and Innovation Agency (BRIN), South Tangerang 15314, Indonesia
3
Frontier Research Institute for Interdisciplinary Sciences, Tohoku University, Sendai 980-8578, Japan
*
Author to whom correspondence should be addressed.
Academic Editor: Shanpeng Wang
Crystals 2021, 11(11), 1290; https://doi.org/10.3390/cryst11111290
Received: 15 September 2021 / Revised: 20 October 2021 / Accepted: 22 October 2021 / Published: 25 October 2021
(This article belongs to the Special Issue Two-Dimensional Materials for Energy Applications)
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. View Full-Text
Keywords: group-IV tellurides; germanium telluride; electronic properties; optical properties; thermoelectric properties; first-principles calculation group-IV tellurides; germanium telluride; electronic properties; optical properties; thermoelectric properties; first-principles calculation
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MDPI and ACS Style

Sinambela, W.V.; Wella, S.A.; Arsyad, F.S.; Hung, N.T.; Nugraha, A.R.T. Electronic, Optical, and Thermoelectric Properties of Bulk and Monolayer Germanium Tellurides. Crystals 2021, 11, 1290. https://doi.org/10.3390/cryst11111290

AMA Style

Sinambela WV, Wella SA, Arsyad FS, Hung NT, Nugraha ART. Electronic, Optical, and Thermoelectric Properties of Bulk and Monolayer Germanium Tellurides. Crystals. 2021; 11(11):1290. https://doi.org/10.3390/cryst11111290

Chicago/Turabian Style

Sinambela, Wenny V., Sasfan A. Wella, Fitri S. Arsyad, Nguyen T. Hung, and Ahmad R.T. Nugraha 2021. "Electronic, Optical, and Thermoelectric Properties of Bulk and Monolayer Germanium Tellurides" Crystals 11, no. 11: 1290. https://doi.org/10.3390/cryst11111290

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