Electronic and optical properties of SnX₂(X=S, Se) - InSe van der Waal's heterostructures from first-principle calculations

Sengupta, A. (2019) Electronic and optical properties of SnX₂(X=S, Se) - InSe van der Waal's heterostructures from first-principle calculations. Physica Scripta, 94(12), 125806. (doi: 10.1088/1402-4896/ab3bb3)

Abstract

In this work from first-principles simulations we investigate bilayer van der Waals heterostructures (vdWh) of emerging 2-dimensional (2D) optical materials SnS 2 and SnSe 2 with monolayer InSe. With density functional theory (DFT) calculations, we study the structural, electronic, optical and carrier transport properties of the SnX 2 (X=S,Se)-InSe vdWh. Calculations show SnX 2 -InSe in its most stable stacking form (named AB-1) to be a material with a small (0.6- 0.7eV) indirect band-gap. The bilayer vdWh shows broad spectrum optical response, with number of peaks in the infra-red to visible region. In terms of carrier transport properties, asymmetry in conductance was observed with respect to the transport direction and electron and hole transmission. The findings are promising from the viewpoint of nanoelectronics and photonics.

• Item Type: Articles
• Additional Information: The author wishes to thank Department of Science and Technology, Govt. of India for DST INSPIRE Faculty Grant No. IFA-13 ENG- 62.
• Status: Published
• Refereed: Yes
• Glasgow Author(s) Enlighten ID: Sengupta, Dr Amretashis
• Authors: Sengupta, A.
• College/School: College of Science and Engineering > School of Engineering > Systems Power and Energy
• Journal Name: Physica Scripta
• Publisher: IOP Publishing
• ISSN: 0031-8949
• ISSN (Online): 1402-4896
• Published Online: 15 August 2019
• Copyright Holders: Copyright © 2019 IOP Publishing Ltd
• First Published: First published in Physica Scripta 94(12):125806
• Publisher Policy: Reproduced in accordance with the copyright policy of the publisher