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      Tunable Electronic, Optical, and Thermal Properties of two- dimensional Germanene via an external electric field

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          Abstract

          In this paper, we present a tight-binding model based on DFT calculations for investigation the electronic and optical properties of monolayer Germanene. The thermal properties are investigated using Green function method. The required tight binding parameters including the onsite energies and third nearest neighbors hopping and overlap integrals are obtained based on our DFT calculations. Germanene is a semiconductor with zero band gap and linear band dispersion around the K point. The band gap opening occurs in the presence of bias voltage. The band gap is increased linearly with increase of the bias voltage strength. The tight binding results for position of the two first peaks in the optical Infrared region is same with the DFT results. By applying and increasing bias voltage, the dielectric function shows the blue shift by reduction the peak intensity in the energy range E < 1 eV. The thermal conductivity and heat capacity increase with increasing the temperature due to the increasing of thermal energy of charge carriers and excitation them to the conduction bands. The thermal properties of Germanene in the absence of bias U = 0 is larger than that U ≠ 0 and they decrease by further bias strength increasing, due to the increasing band gap with bias.

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                Author and article information

                Contributors
                raad.chegel@gmail.com
                Journal
                Sci Rep
                Sci Rep
                Scientific Reports
                Nature Publishing Group UK (London )
                2045-2322
                20 January 2020
                20 January 2020
                2020
                : 10
                Affiliations
                [1 ]GRID grid.459711.f, Physics Department, Faculty of Science, , Malayer University, ; Malayer, Iran
                [2 ]GRID grid.459724.9, Department of Engineering Physics, , Kermanshah University of Technology, ; Kermanshah, Iran
                Article
                57558
                10.1038/s41598-020-57558-x
                6971278
                31959841
                © The Author(s) 2020

                Open Access This article is licensed under a Creative Commons Attribution 4.0 International License, which permits use, sharing, adaptation, distribution and reproduction in any medium or format, as long as you give appropriate credit to the original author(s) and the source, provide a link to the Creative Commons license, and indicate if changes were made. The images or other third party material in this article are included in the article’s Creative Commons license, unless indicated otherwise in a credit line to the material. If material is not included in the article’s Creative Commons license and your intended use is not permitted by statutory regulation or exceeds the permitted use, you will need to obtain permission directly from the copyright holder. To view a copy of this license, visit http://creativecommons.org/licenses/by/4.0/.

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