Open AccessFirst-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 , materials science , condensed matter physics , dielectric function , band gap , local density approximation , electronic band structure , refractive index , dielectric , electronic structure , tin , optoelectronics , computational chemistry , physics , chemistry , 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.