First-principles calculations to investigate structural, electronic and optical properties of (AlSb)m/(GaSb)n superlattices

• Main Authors: Caid M., Rached D.
• Format: Article
• Language: English
• Published: Sciendo 2020-06-01
• Series: Materials Science-Poland
• Subjects: fp-lmto; electronic structure; optical properties; superlattices
• Online Access: https://doi.org/10.2478/msp-2020-0027

The structural, electronic and optical properties of (AlSb)m/(GaSb)n (m-n: 1-1, 2-2, 1-3 and 3-1) superlattices are investigated within the density functional theory (DFT) by using the last version of the first principles full potential linear muffin tin orbital method (FP-LMTO) as implemented in LmtART 7.0 code. The exchange and correlation potential is treated by the local density approximation (LDA) for the total energy calculations. Our calculations of the band structure show that the superlattices (n ≠ 1) have a direct band gap Γ-Γ. The optical constants, including the dielectric function ϵ(w), the refractive index n(w) and the reflectivity R(w) are calculated and discussed.