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- W4304808953 abstract "The aim of this paper is to investigate the optoelectronic properties of the new ternary alloys AlP1-xBix at different concentrations of Bismuth x (0 ≤ x ≤ 1), using super cell 16 atoms special quasi-random structures within the full-potential linearized augmented plane wave method (FP-LAPW) employing Wien2k based on the density functional theory. The generalized gradient approach of Perdew et al. (GGA-PBEsol) was used to study the structural properties. The electronic and optical properties were predicted using the local density (LDA) and Tran–Blaha-modified Becke–Johnson (TB-mBJ) approaches. The lattice parameters (a), bulk modulus (B) and band gap energy (Eg) are calculated and analyzed for ternary alloys and their binaries. It is found that the variation of the lattice constant a(x) exhibits a small bowing parameter equal to (−0.1366Å) according to Vigard's law. Band structure analysis shows that AlP1-xBix ternaries have direct band gaps for concentrations x (0 ≤x ≤ 1). The (TB-mBJ) results show that the band gap values of AlP1-xBix vary from 2.322 eV to 0.426 eV which corresponds to wavelengths from 0.534μm to 2.910μm. Furthermore, we investigated in detail the optical properties of AlP1-xBix ternaries. We can point out that this work represents the first theoretical study on these ternaries. The calculation confirms that the AlP1-xBix ternary alloys are promising candidate for optoelectronics, and in particular for light sources for fiber-optic communications." @default.
- W4304808953 created "2022-10-13" @default.
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- W4304808953 date "2023-01-01" @default.
- W4304808953 modified "2023-10-14" @default.
- W4304808953 title "Theoretical studies of optoelectronic properties of AlP1xBix ternaries: Promising light sources for fiber optic communications" @default.
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- W4304808953 doi "https://doi.org/10.1016/j.radphyschem.2022.110591" @default.
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