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

M. Caid | Zendy; D. Rached | Zendy

Open Access

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

Author(s) -

M. Caid,

D. Rached

Publication year - 2020

Publication title -

materials science-poland

Language(s) - English

Resource type - Journals

SCImago Journal Rank - 0.257

H-Index - 32

eISSN - 2083-1331

pISSN - 2083-134X

DOI - 10.2478/msp-2020-0027

Subject(s) - superlattice , density functional theory , dielectric function , refractive index , condensed matter physics , band gap , electronic band structure , local density approximation , dielectric , electronic structure , tin , materials science , chemistry , physics , computational chemistry , optoelectronics , metallurgy

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.

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