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- W2019980314 abstract "Using the first-principles density-functional theory within the generalized gradient approximation (GGA), we have investigated the structural, elastic, mechanical, electronic, and optical properties and phase transition of CuInO2. Structural parameters including lattice constants and internal parameter, pressure effects and phase transition pressure were calculated. We have obtained the elastic coefficients, bulk modulus, shear modulus, Young's modulus and Poisson's ratio. We find that two phases of CuInO2 are indirect band gap semiconductors (F–Γ and H–Γ for 3R and 2H, respectively). Optical properties, including the dielectric function, refractive index, extinction coefficient, reflectivity, absorption coefficient, loss function and optical conductivity have been obtained for radiations of up to 30 eV." @default.
- W2019980314 created "2016-06-24" @default.
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- W2019980314 date "2012-12-01" @default.
- W2019980314 modified "2023-10-16" @default.
- W2019980314 title "First-principles studies of structural, mechanical, electronic, optical properties and pressure-induced phase transition of CuInO2 polymorph" @default.
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- W2019980314 doi "https://doi.org/10.1016/j.physb.2012.08.042" @default.
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