Cover Image

Sb2Te3 crystal a potential absorber material for broadband photodetector: a first-principles study

Antimony telluride (Sb2Te3), a layered semiconductor material, is considered a promising absorbing material for a high-performance optoelectronic device within broadband wavelengths because of remarkable features like strong optical absorbance and the narrow direct band gap. In this work, based on t...

Full description

Saved in:
Bibliographic Details
Main Authors: Lawal, A., Shaari, A., Ahmed, R., Jarkoni, N.
Format: Article
Language:English
Published: Elsevier B.V. 2017
Subjects:
QC Physics
Online Access:http://eprints.utm.my/id/eprint/74908/1/AbdullahiLawal_Sb2Te3CrystalaPotentialAbsorber.pdf
http://eprints.utm.my/id/eprint/74908/
https://www.scopus.com/inward/record.uri?eid=2-s2.0-85030474507&doi=10.1016%2fj.rinp.2017.06.040&partnerID=40&md5=d873e44d4103a55b795faf23cd55f277
Tags: Add Tag
No Tags, Be the first to tag this record!
id my.utm.74908
record_format eprints
spelling my.utm.749082018-03-22T10:57:19Z http://eprints.utm.my/id/eprint/74908/ Sb2Te3 crystal a potential absorber material for broadband photodetector: a first-principles study Lawal, A. Shaari, A. Ahmed, R. Jarkoni, N. QC Physics Antimony telluride (Sb2Te3), a layered semiconductor material, is considered a promising absorbing material for a high-performance optoelectronic device within broadband wavelengths because of remarkable features like strong optical absorbance and the narrow direct band gap. In this work, based on the first-principles approach, we investigate in detail the structural, electronic and optical properties of the hexagonal Sb2Te3 compound. The structural and electronic properties were computed using the first-principles approach, treating exchange–correlation potential with generalized gradient approximation (GGA) within density functional theory (DFT). Furthermore, for accurate prediction of the band gap, we go beyond DFT and calculated band structure using GW correction. The optical properties, namely, imaginary and real parts of complex dielectric function, absorption coefficient, refractive index, reflectivity, extinction coefficient, electron energy loss function and optical conductivity are performed by quasi-particle many-body perturbation theory (MBPT) via Bethe-Salpeter equation (BSE). The computed structural parameters are in good agreement with available experimental data. The obtained quasi-particle (GW) correction band structure show the semiconducting character of Sb2Te3 material with a direct band gap Eg of 0.221 eV, in agreement with previously reported value (Eg = 0.210 eV) while the projected density of states indicates (PDOS) that the p-orbital of Sb and Te atoms are responsible for material properties near the Fermi level. To our knowledge, our first reported calculations of optical properties, with the inclusion of electron-hole effects are consistent with available experimental measurements. Consistencies of our findings with experimental data validate the effectiveness of electron-hole interaction for theoretical investigation of optical properties. Elsevier B.V. 2017 Article PeerReviewed application/pdf en http://eprints.utm.my/id/eprint/74908/1/AbdullahiLawal_Sb2Te3CrystalaPotentialAbsorber.pdf Lawal, A. and Shaari, A. and Ahmed, R. and Jarkoni, N. (2017) Sb2Te3 crystal a potential absorber material for broadband photodetector: a first-principles study. Results in Physics, 7 . pp. 2302-2310. ISSN 2211-3797 https://www.scopus.com/inward/record.uri?eid=2-s2.0-85030474507&doi=10.1016%2fj.rinp.2017.06.040&partnerID=40&md5=d873e44d4103a55b795faf23cd55f277
institution Universiti Teknologi Malaysia
building UTM Library
collection Institutional Repository
continent Asia
country Malaysia
content_provider Universiti Teknologi Malaysia
content_source UTM Institutional Repository
url_provider http://eprints.utm.my/
language English
topic QC Physics
spellingShingle QC Physics
Lawal, A.
Shaari, A.
Ahmed, R.
Jarkoni, N.
Sb2Te3 crystal a potential absorber material for broadband photodetector: a first-principles study
description Antimony telluride (Sb2Te3), a layered semiconductor material, is considered a promising absorbing material for a high-performance optoelectronic device within broadband wavelengths because of remarkable features like strong optical absorbance and the narrow direct band gap. In this work, based on the first-principles approach, we investigate in detail the structural, electronic and optical properties of the hexagonal Sb2Te3 compound. The structural and electronic properties were computed using the first-principles approach, treating exchange–correlation potential with generalized gradient approximation (GGA) within density functional theory (DFT). Furthermore, for accurate prediction of the band gap, we go beyond DFT and calculated band structure using GW correction. The optical properties, namely, imaginary and real parts of complex dielectric function, absorption coefficient, refractive index, reflectivity, extinction coefficient, electron energy loss function and optical conductivity are performed by quasi-particle many-body perturbation theory (MBPT) via Bethe-Salpeter equation (BSE). The computed structural parameters are in good agreement with available experimental data. The obtained quasi-particle (GW) correction band structure show the semiconducting character of Sb2Te3 material with a direct band gap Eg of 0.221 eV, in agreement with previously reported value (Eg = 0.210 eV) while the projected density of states indicates (PDOS) that the p-orbital of Sb and Te atoms are responsible for material properties near the Fermi level. To our knowledge, our first reported calculations of optical properties, with the inclusion of electron-hole effects are consistent with available experimental measurements. Consistencies of our findings with experimental data validate the effectiveness of electron-hole interaction for theoretical investigation of optical properties.
format Article
author Lawal, A.
Shaari, A.
Ahmed, R.
Jarkoni, N.
author_facet Lawal, A.
Shaari, A.
Ahmed, R.
Jarkoni, N.
author_sort Lawal, A.
title Sb2Te3 crystal a potential absorber material for broadband photodetector: a first-principles study
title_short Sb2Te3 crystal a potential absorber material for broadband photodetector: a first-principles study
title_full Sb2Te3 crystal a potential absorber material for broadband photodetector: a first-principles study
title_fullStr Sb2Te3 crystal a potential absorber material for broadband photodetector: a first-principles study
title_full_unstemmed Sb2Te3 crystal a potential absorber material for broadband photodetector: a first-principles study
title_sort sb2te3 crystal a potential absorber material for broadband photodetector: a first-principles study
publisher Elsevier B.V.
publishDate 2017
url http://eprints.utm.my/id/eprint/74908/1/AbdullahiLawal_Sb2Te3CrystalaPotentialAbsorber.pdf
http://eprints.utm.my/id/eprint/74908/
https://www.scopus.com/inward/record.uri?eid=2-s2.0-85030474507&doi=10.1016%2fj.rinp.2017.06.040&partnerID=40&md5=d873e44d4103a55b795faf23cd55f277
_version_ 1643656968315863040
score 13.211869

Similar Items