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- W2890168682 abstract "Abstract The electronic and optical properties of AgAlO2 were determined by using Generalized Gradient Approximation (GGA) suggested by Perdew–Burke–Ernzerhof (PBE) with the addition of Hubbard potential along with linearized augmented plane wave pseudopotential. Our computed band structure infers that our calculated bandgap (1.5 eV) is closer to the experimental (2.81 eV) as compare to the previous theoretical values (1.16 eV). The investigated band structure also reflects that AgAlO2 is an indirect semiconductor material. The investigated atomic positions and lattice constants are in good agreement with the experimental values than the earlier theoretical values. From presented optical properties one can observe that AgAlO2 is a good conducting material. The absorption spectrum infers that AgAlO2 is an expensive material for photo-electronic devices or solar-cell applications." @default.
- W2890168682 created "2018-09-27" @default.
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- W2890168682 date "2018-10-01" @default.
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- W2890168682 title "First principles investigation of electronic and optical properties of AgAlO2" @default.
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- W2890168682 doi "https://doi.org/10.1016/j.cjph.2018.09.018" @default.
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