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Anisotropic Optical Properties of 2D Silicon Telluride

Published online by Cambridge University Press:  14 April 2020

Romakanta Bhattarai ,
Jiyang Chen ,
Thang B. Hoang ,
Jingbiao Cui  and
Xiao Shen
Romakanta Bhattarai
Affiliation:
Department of Physics and Materials Science, University of Memphis, Memphis, TN 38152, USA
Jiyang Chen
Affiliation:
Department of Physics and Materials Science, University of Memphis, Memphis, TN 38152, USA
Thang B. Hoang
Affiliation:
Department of Physics and Materials Science, University of Memphis, Memphis, TN 38152, USA
Jingbiao Cui
Affiliation:
Department of Physics, University of North Texas, Denton, TX 76201, USA
Xiao Shen*
Affiliation:
Department of Physics and Materials Science, University of Memphis, Memphis, TN 38152, USA
*
*(Email: xshen1@memphis.edu)

Abstract

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Silicon telluride (Si2Te3) is a silicon-based 2D chalcogenide with potential applications in optoelectronics. It has a unique crystal structure where Si atoms form Si-Si dimers to occupy the “metal” sites. In this paper, we report an ab initio computational study of its optical dielectric properties using the GW approximation and the Bethe-Salpeter equation (BSE). Strong in-plane optical anisotropy is discovered. The imaginary part of the dielectric constant in the direction parallel to the Si-Si dimers is found to be much lower than that perpendicular to the dimers. The optical measurement of the absorption spectra of 2D Si2Te3 nanoplates shows modulation of the absorption coefficient under 90-degree rotation, confirming the computational results. We show the optical anisotropy originates from the particular compositions of the wavefunctions in the valence and conduction bands. Because it is associated with the Si dimer orientation, the in-plane optical anisotropy can potentially be dynamically controlled by electrical field and strain, which may be useful for new device design. In addition, BSE calculations reduce GW quasiparticle band gap by 0.3 eV in bulk and 0.6 eV in monolayer, indicating a large excitonic effect in Si2Te3. Furthermore, including electron-hole interaction in bulk calculations significantly reduces the imaginary part of the dielectric constant in the out-of-plane direction, suggesting strong interlayer exciton effect in Si2Te3 multilayers.

Keywords

2D materialsoptical propertiesmodelings
Type
Articles
Information
MRS Advances , Volume 5 , Issue 35-36: Electronic, Photonic and Magnetic Materials , 2020 , pp. 1881 - 1889
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This is an Open Access article, distributed under the terms of the Creative Commons Attribution-NonCommercial- ShareAlike licence (http://creativecommons.org/licenses/by-nc-sa/4.0/), which permits non-commercial re-use, distribution, and reproduction in any medium, provided the same Creative Commons licence is included and the original work is properly cited. The written permission of Cambridge University Press must be obtained for commercial re-use.
Copyright
Copyright © Materials Research Society 2020

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