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- W2765144414 abstract "In the present study, we performed first principles total energy calculations to explore the electronic, elastic, optical, and thermoelectric behavior of MRh2O4(M = Zn, Cd) spinel oxides. We employed Perdew–Burke–Ernzerhof-sol as well as the modified Becke and Johnson potential to compute the elastic, optoelectronic, and thermoelectric behavior of MRh2O4(M = Zn, Cd). The optical behavior was investigated by calculating the complex dielectric constant, refractive index, optical reflectivity, absorption coefficient, and optical conductivity. All of the optical parameters indicated a shift to lower energies as the atomic size increased from Zn to Cd, thereby suggesting potential applications of the spinel oxides in optoelectronic device. Moreover, the thermoelectric properties of MRh2O4(M = Zn, Cd) spinel oxides were computed in terms of the electrical conductivity (σ), Seebeck coefficient (S), thermal conductivity (k), and power factor (σS2) using the BoltzTraP code." @default.
- W2765144414 created "2017-11-10" @default.
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- W2765144414 date "2018-02-01" @default.
- W2765144414 modified "2023-10-03" @default.
- W2765144414 title "Systematic study of the elastic, optoelectronic, and thermoelectric behavior of MRh2O4 (M = Zn, Cd) based on first principles calculations" @default.
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- W2765144414 doi "https://doi.org/10.1016/j.jpcs.2017.10.020" @default.
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