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• W2997410014 abstract "Abstract We employ the full-potential linearized augmented plane wave (FP-LAPW) method under the framework of density functional theory (DFT) based on the new potential approximation known as the Tran-Blaha modified Beckee-Johnson exchange potential approximation (TB-mBJ), to study the structural, optoelectronic, thermoelectric and thermodynamic properties of the ternary delafossite compound AgBO2 (B: Boron atom) and compared them with those of AgAlO2. The study indicates that AgBO2 and AgAlO2 have indirect band gap energy equal respectively to 1.5 eV and 2.6 eV. The absorption coefficient, have shown that these two compounds are transparent in the visible domain. The positive values of the Seebeck coefficient confirms that both semiconductors are of p-type. On the other hand, the dimensionless figure of merit ZT, was shown to increase with temperature and reached maximum values at 800 K of 0.75 and 0.89 for AgBO2 and AgAlO2, respectively. Moreover, important thermodynamic properties are successfully predicted in the wide temperature and pressure ranges." @default.
• W2997410014 created "2020-01-10" @default.
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• W2997410014 date "2020-02-01" @default.
• W2997410014 modified "2023-09-23" @default.
• W2997410014 title "Optoelectronic, thermoelectric and thermodynamic properties of AgBO2 delafossite structure: An ab initio comparative study with AgAlO2" @default.
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• W2997410014 doi "https://doi.org/10.1016/j.ijleo.2019.164158" @default.
• W2997410014 hasPublicationYear "2020" @default.
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