<abstract xmlns="http://www.w3.org/1999/xhtml"><p>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.</p></abstract>

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.

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

Faculty of Exact Sciences, Djillali Liabes University of Sidi Bel-Abbes

Materials Science-Poland

This work is licensed under the Creative Commons Attribution-NonCommercial-NoDerivatives 4.0 International License.

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...

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

Pubblicato online: 06 ott 2020

Pagine: 320 - 327

Ricevuto: 10 set 2018

Accettato: 23 apr 2019

DOI: https://doi.org/10.2478/msp-2020-0027

Parole chiave
FP-LMTO, electronic structure, optical properties, superlattices

© 2020 M. Caid et al., published by Sciendo

This work is licensed under the Creative Commons Attribution-NonCommercial-NoDerivatives 4.0 International License.

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

Pubblicato online: 06 ott 2020

Pagine: 320 - 327

Ricevuto: 10 set 2018

Accettato: 23 apr 2019

DOI: https://doi.org/10.2478/msp-2020-0027

Parole chiaveFP-LMTO, electronic structure, optical properties, superlattices

© 2020 M. Caid et al., published by Sciendo

This work is licensed under the Creative Commons Attribution-NonCommercial-NoDerivatives 4.0 International License.

Parole chiave
FP-LMTO, electronic structure, optical properties, superlattices