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| Structural, electronic, and optical studies of chalcogenides stannite 〖Cu〗_2 CdSnX_4 (X=S,Se,and Te): Insights from the DFT study |
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| Abstract: |
| In this paper, we have calculated the Structural, electronic and optical properties of chalcogenide stannite 〖Cu〗_2 CdSnX_4(S, Se, Te) materials. Our work is motivated by the consideration that stannite chalcogenides 〖Cu〗_2 CdSnX_4(S, Se, Te) have revealed future potential in various applications such as solar energy with low risk due to their great durability and non-toxicity of its components, unlike other lead-based materials. Our results show that 〖Cu〗_2 CdSnX_4(S, Se, Te) stannite exhibit absorption in the visible region and the refractive index decreases with increasing energy, the refractive index values are n = 3.2, 3.73, 3.75 for Cu2CdSnS4, Cu2CdSnSe4, Cu2CdSnTe4, respectively at zero photon energy. They show also high conductivity, which implies that this material is promising for solar cells. These results argue in favor of the use of these materials in various potential applications. The calculations are based on the DFT method and is performed using the CASTEP code included in the Biovia material Studio 2020 software. All optical properties have been studied in a domain that extends energetically from 10 meV to 40 eV. The state density of quasiparticles, the band structures, the structural properties and the optical properties of 〖Cu〗_2 CdSnX_4(S, Se, Te) stannite are investigated in this work, for multibody effects on the basic of density functional theory (DFT) using Meta generalized gradient approximation (M-GGA) |
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