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- W3180850871 endingPage "e00577" @default.
- W3180850871 startingPage "e00577" @default.
- W3180850871 abstract "In the present paper, the results of a detailed computational study of the structural, electronic, optical, magnetic and thermoelectric properties of the CdXP2 (X = Si, Ge and Sn) compounds have been studied using the full-potential linearized augmented plane wave (FP-LAPW) method. The calculated structural parameters of the title compounds are in excellent agreement with the available theoretical data. Furthermore, in order to clarify the mechanism of electronic band structure and optical transitions of CdXP2 (X = Si, Ge and Sn), the electronic structure and density of states, complex dielectric function, refractive index with extinction coefficient, optical conductivity and absorption coefficient are calculated for radiations up to 20 eV. Finally, the thermoelectric parameters are computed for 300–900 K temperature range to explore the potential of these compounds for applications in technological devices." @default.
- W3180850871 created "2021-07-19" @default.
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- W3180850871 date "2021-09-01" @default.
- W3180850871 modified "2023-10-18" @default.
- W3180850871 title "Band parameters and thermoelectric properties of chalcopyrite ternary compounds CdXP2 (X = Si, Ge and Sn)" @default.
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- W3180850871 doi "https://doi.org/10.1016/j.cocom.2021.e00577" @default.
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