Optical properties of 2D GeTe under strain: A DFT study
Monolayer germanium telluride (GeTe) exhibits tunable electronic and optical properties, making it promising for device applications. Using Density Functional Theory (DFT), we investigate the impact of uniaxial strain, ϵ, on its band structure and dielectric function (DF), ε̃. Tensile strain along t...
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| Format: | Article |
| Language: | English |
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AIP Publishing LLC
2025-01-01
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| Series: | AIP Advances |
| Online Access: | http://dx.doi.org/10.1063/5.0243213 |
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| author | O. Ruiz-Cigarrillo G. Flores-Rangel U. Zavala-Moran J. Puebla R. E. Balderas-Navarro B. Mizaikoff |
| author_facet | O. Ruiz-Cigarrillo G. Flores-Rangel U. Zavala-Moran J. Puebla R. E. Balderas-Navarro B. Mizaikoff |
| author_sort | O. Ruiz-Cigarrillo |
| collection | DOAJ |
| description | Monolayer germanium telluride (GeTe) exhibits tunable electronic and optical properties, making it promising for device applications. Using Density Functional Theory (DFT), we investigate the impact of uniaxial strain, ϵ, on its band structure and dielectric function (DF), ε̃. Tensile strain along the —zigzag direction induces a direct-to-indirect bandgap transition at ϵ = 2%, reducing the gap from 1.80 to 1.62 eV. Compressive strain narrows the gap while maintaining its indirect nature. Strain also induces in-plane anisotropy in the DF and shifts the optical absorption spectrum. We determine a deformation potential (DP) of −6.45 eV for the bandgap under tensile strain and DPs for other above bandgap high-symmetry points. These findings highlight the potential of strain engineering for tuning GeTe’s properties in devices. |
| format | Article |
| id | doaj-art-8d9bc03b00f04c5f915a7ec48a2753ed |
| institution | Kabale University |
| issn | 2158-3226 |
| language | English |
| publishDate | 2025-01-01 |
| publisher | AIP Publishing LLC |
| record_format | Article |
| series | AIP Advances |
| spelling | doaj-art-8d9bc03b00f04c5f915a7ec48a2753ed2025-02-03T16:40:42ZengAIP Publishing LLCAIP Advances2158-32262025-01-01151015135015135-810.1063/5.0243213Optical properties of 2D GeTe under strain: A DFT studyO. Ruiz-Cigarrillo0G. Flores-Rangel1U. Zavala-Moran2J. Puebla3R. E. Balderas-Navarro4B. Mizaikoff5Instituto de Investigación en Comunicación Óptica, Universidad Autónoma de San Luis Potosí, Alvaro Obregón 64, 78000 San Luis Potosí, S.L.P., MexicoInstitute of Analytical and Bioanalytical Chemistry, Ulm University, Albert-Einstein-Allee 11, 89081 Ulm, GermanyInstituto de Investigación en Comunicación Óptica, Universidad Autónoma de San Luis Potosí, Alvaro Obregón 64, 78000 San Luis Potosí, S.L.P., MexicoCenter for Emergent Matter Science, RIKEN, Wako, Saitama 351-0198, JapanInstituto de Investigación en Comunicación Óptica, Universidad Autónoma de San Luis Potosí, Alvaro Obregón 64, 78000 San Luis Potosí, S.L.P., MexicoInstitute of Analytical and Bioanalytical Chemistry, Ulm University, Albert-Einstein-Allee 11, 89081 Ulm, GermanyMonolayer germanium telluride (GeTe) exhibits tunable electronic and optical properties, making it promising for device applications. Using Density Functional Theory (DFT), we investigate the impact of uniaxial strain, ϵ, on its band structure and dielectric function (DF), ε̃. Tensile strain along the —zigzag direction induces a direct-to-indirect bandgap transition at ϵ = 2%, reducing the gap from 1.80 to 1.62 eV. Compressive strain narrows the gap while maintaining its indirect nature. Strain also induces in-plane anisotropy in the DF and shifts the optical absorption spectrum. We determine a deformation potential (DP) of −6.45 eV for the bandgap under tensile strain and DPs for other above bandgap high-symmetry points. These findings highlight the potential of strain engineering for tuning GeTe’s properties in devices.http://dx.doi.org/10.1063/5.0243213 |
| spellingShingle | O. Ruiz-Cigarrillo G. Flores-Rangel U. Zavala-Moran J. Puebla R. E. Balderas-Navarro B. Mizaikoff Optical properties of 2D GeTe under strain: A DFT study AIP Advances |
| title | Optical properties of 2D GeTe under strain: A DFT study |
| title_full | Optical properties of 2D GeTe under strain: A DFT study |
| title_fullStr | Optical properties of 2D GeTe under strain: A DFT study |
| title_full_unstemmed | Optical properties of 2D GeTe under strain: A DFT study |
| title_short | Optical properties of 2D GeTe under strain: A DFT study |
| title_sort | optical properties of 2d gete under strain a dft study |
| url | http://dx.doi.org/10.1063/5.0243213 |
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