O. Nemiri, A.Boumaza, K.Boubendira and S.Ghemid (2015) First-principles calculations of the structural, electronic and optical properties of In1xBxAsyP1y quaternary alloys lattice matched to InP and BeS. Materials Science in Semiconductor Processing , 36(1369-8001), 27–35, ELSEVIER
Scientific Publications
Important: This page is frozen. New documents are now available in the digital repository DSpace
Abstract
The structural, electronic, and optical properties of the cubic In1xBxAsyP1y quaternary
alloys lattice matched to InP and BeS have been investigated by using the full-potential
linearized augmented plane wave (FP-LAPW) method within the density functional theory
(DFT). The generalized gradient approximation (GGA) of Wu and Cohen was used as the
exchange correlation potential to calculate the structural and electronic properties. In
addition, the alternative GGA proposed by Engel and Vosko and the modified Becke–
Johnson potential are utilized to calculate the electronic properties. The computed
structural and electronic properties of the binary compounds are in good agreement
with the available experimental and theoretical data. For the alloys, non-linear variations
of composition x and y with the lattice constant, bulk modulus, direct, indirect band gap,
dielectric constant and refractive index are found. All the compounds are direct band gap
excluding BP and BAs. The energy band gap of In1xBxAsyP1y quaternary alloys lattice
matched to InP and BeS substrates is computed. Finally, the band gap of our materials is
less than 3.1 eV. Thus the In1xBxAsyP1y quaternary alloys may possibly be used in visible
light devices.
alloys lattice matched to InP and BeS have been investigated by using the full-potential
linearized augmented plane wave (FP-LAPW) method within the density functional theory
(DFT). The generalized gradient approximation (GGA) of Wu and Cohen was used as the
exchange correlation potential to calculate the structural and electronic properties. In
addition, the alternative GGA proposed by Engel and Vosko and the modified Becke–
Johnson potential are utilized to calculate the electronic properties. The computed
structural and electronic properties of the binary compounds are in good agreement
with the available experimental and theoretical data. For the alloys, non-linear variations
of composition x and y with the lattice constant, bulk modulus, direct, indirect band gap,
dielectric constant and refractive index are found. All the compounds are direct band gap
excluding BP and BAs. The energy band gap of In1xBxAsyP1y quaternary alloys lattice
matched to InP and BeS substrates is computed. Finally, the band gap of our materials is
less than 3.1 eV. Thus the In1xBxAsyP1y quaternary alloys may possibly be used in visible
light devices.
Information
| Item Type | Journal |
|---|---|
| Divisions | |
| ePrint ID | 1650 |
| Date Deposited | 2019-01-28 |
| Further Information | Google Scholar |
| URI | https://univ-soukahras.dz/en/publication/article/1650 |
BibTex
@article{uniusa1650,
title={First-principles calculations of the structural, electronic and optical properties of In1xBxAsyP1y quaternary alloys lattice matched to InP and BeS},
author={O. Nemiri, A.Boumaza, K.Boubendira and S.Ghemid},
journal={Materials Science in Semiconductor Processing}
year={2015},
volume={36},
number={1369-8001},
pages={27–35},
publisher={ELSEVIER}
}
title={First-principles calculations of the structural, electronic and optical properties of In1xBxAsyP1y quaternary alloys lattice matched to InP and BeS},
author={O. Nemiri, A.Boumaza, K.Boubendira and S.Ghemid},
journal={Materials Science in Semiconductor Processing}
year={2015},
volume={36},
number={1369-8001},
pages={27–35},
publisher={ELSEVIER}
}