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- W2955884720 abstract "The electronic, optical and thermoelectric properties of zirconia-based MgZrO 3 oxide have been studied theoretically at a variant pressure up to 25 GPa. Calculations for the formation energy and tolerance factor reveal the thermodynamic and structural stability of MgZrO 3 . To tune the indirect band gap from to a direct band gap, the optimized structure of MgZrO 3 has been subjected to external pressure up to 25 GPa. The optical properties have been discussed in the form of dielectric constant and refraction that brief us about the dispersion, polarization, absorption, and transparency of the MgZrO 3 . In the end, the thermoelectric parameters have been analyzed at variant pressure against the chemical potential and temperature. The narrow band gap and high absorption in the ultraviolet region increase the demand of the studied oxide for energy harvesting device applications." @default.
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- W2955884720 date "2019-06-01" @default.
- W2955884720 modified "2023-09-24" @default.
- W2955884720 title "Optoelectronic pressure dependent study of MgZrO3 oxide and ground state thermoelectric response using Ab-initio calculations" @default.
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- W2955884720 doi "https://doi.org/10.1016/j.opelre.2018.10.002" @default.
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