ملخص البحث :
The electronic structure, elastic and optical properties with wide energy band gap (Eg) in mixedcrystal semiconductors containing As-doped BN are reported. Density functional calculations(DFT) were performed for comprehensive detection and understanding of structural, optoelectronic, and elastic properties for mixed semiconductors in the cubic phase. When applyingVegard’s law for As, BN, and mixed alloys based on BN1− xAsx, where x = 0, 0.25, 0.5, 0.75, and 1,we observed that the distortion of the lattice constants was slight to different condensations.Calculations of Eg values found that the values decreased with an increase in (x) condensation.The bulk modulus, and other elastic parameters were computed and confirmed that the alloys aremechanically stable. The calculations of dielectric Ɛ(ω), refractive index n(ω), higher absorptionα(ω) peaks, and other coefficients confirm that BN1− xAsx alloys are favourable for practicalphotovoltaics. The results confirm that mixed semiconductors have great interest in nextgeneration optoelectronic devices. This work provides a route for optoelectronic applications.
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سنة النشر : 2023
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تصنيف البحث : scopus
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