Cover Image

First-principles many-body comparative study of Bi2Se3 crystal: A promising candidate for broadband photodetector

In this work, we present a theoretical investigation on the structural, electronic and optical properties of Bi2Se3 via density functional theory (DFT) approach in conjunction with a many-body perturbation theory (MBPT) formalism. It was found that inclusion of van der Waals (vdW) correction reprodu...

Full description

Saved in:
Bibliographic Details
Main Authors: Lawal, A., Shaari, A., Ahmed, R., Jarkoni, N.
Format: Article
Published: Elsevier B. V 2017
Subjects:
QC Physics
Online Access:http://eprints.utm.my/id/eprint/81049/
http://dx.doi.org/10.1016/j.physleta.2017.07.023
Tags: Add Tag
No Tags, Be the first to tag this record!
id my.utm.81049
record_format eprints
spelling my.utm.810492019-07-24T03:06:29Z http://eprints.utm.my/id/eprint/81049/ First-principles many-body comparative study of Bi2Se3 crystal: A promising candidate for broadband photodetector Lawal, A. Shaari, A. Ahmed, R. Jarkoni, N. QC Physics In this work, we present a theoretical investigation on the structural, electronic and optical properties of Bi2Se3 via density functional theory (DFT) approach in conjunction with a many-body perturbation theory (MBPT) formalism. It was found that inclusion of van der Waals (vdW) correction reproduce experimental interlayer distances, lattice parameters and atomic coordinates of Bi2Se3 material. Also, band structure calculations show that G0W0 correction leads to a band gap closer to the experiment. On the other hand, excitonic effects and optical properties, namely, imaginary and real parts of dielectric function, refractive index, absorption coefficient, extinction coefficient, reflectivity, electron energy loss function and optical conductivity are investigated using Bethe–Salpeter equation (BSE) approach. Our first time reported results of Bi2Se3 with inclusion of electron–hole interaction show a good agreement with the available experimental measurements. The obtained results of the exciton energy show that the title material can absorb a photon within infrared wavelengths. Elsevier B. V 2017 Article PeerReviewed Lawal, A. and Shaari, A. and Ahmed, R. and Jarkoni, N. (2017) First-principles many-body comparative study of Bi2Se3 crystal: A promising candidate for broadband photodetector. Physics Letters, Section A: General, Atomic and Solid State Physics, 381 (35). pp. 2993-2999. ISSN 0375-9601 http://dx.doi.org/10.1016/j.physleta.2017.07.023 DOI:10.1016/j.physleta.2017.07.023
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/
topic QC Physics
spellingShingle QC Physics
Lawal, A.
Shaari, A.
Ahmed, R.
Jarkoni, N.
First-principles many-body comparative study of Bi2Se3 crystal: A promising candidate for broadband photodetector
description In this work, we present a theoretical investigation on the structural, electronic and optical properties of Bi2Se3 via density functional theory (DFT) approach in conjunction with a many-body perturbation theory (MBPT) formalism. It was found that inclusion of van der Waals (vdW) correction reproduce experimental interlayer distances, lattice parameters and atomic coordinates of Bi2Se3 material. Also, band structure calculations show that G0W0 correction leads to a band gap closer to the experiment. On the other hand, excitonic effects and optical properties, namely, imaginary and real parts of dielectric function, refractive index, absorption coefficient, extinction coefficient, reflectivity, electron energy loss function and optical conductivity are investigated using Bethe–Salpeter equation (BSE) approach. Our first time reported results of Bi2Se3 with inclusion of electron–hole interaction show a good agreement with the available experimental measurements. The obtained results of the exciton energy show that the title material can absorb a photon within infrared wavelengths.
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 First-principles many-body comparative study of Bi2Se3 crystal: A promising candidate for broadband photodetector
title_short First-principles many-body comparative study of Bi2Se3 crystal: A promising candidate for broadband photodetector
title_full First-principles many-body comparative study of Bi2Se3 crystal: A promising candidate for broadband photodetector
title_fullStr First-principles many-body comparative study of Bi2Se3 crystal: A promising candidate for broadband photodetector
title_full_unstemmed First-principles many-body comparative study of Bi2Se3 crystal: A promising candidate for broadband photodetector
title_sort first-principles many-body comparative study of bi2se3 crystal: a promising candidate for broadband photodetector
publisher Elsevier B. V
publishDate 2017
url http://eprints.utm.my/id/eprint/81049/
http://dx.doi.org/10.1016/j.physleta.2017.07.023
_version_ 1643658595216130048
score 13.211869

Similar Items