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

Caid M., Rached D.

Materials Science Poland

2020

Vol. 38, No. 2

320--327

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.

Electronic structure and optical properties of (BeTe)(n)/(ZnSe)(m) superlattices

Caid M., Rached H., Rached D., Khenata R., Bin Omran S., Vashney D., Abidri B., Benkhettou N., Chahed A., Benhellal O.

Materials Science Poland

2016

Vol. 34, No. 1

115--125

The structural, electronic and optical properties of (BeTe)n/(ZnSe) m superlattices have been computationally evaluated for different conﬁgurations with m = n and m≠n using the full-potential linear mufﬁn-tin method. The exchange and correlation potentials are treated by the local density approximation (LDA). The ground state properties of (BeTe)n/(ZnSe) m binary compounds are determined and compared with the available data. It is found that the superlattice band gaps vary depending on the layers used. The optical constants, including the dielectric function ε(ω), the refractive index n(ω) and the refractivity R(ω), are calculated for radiation energies up to 35 eV.