Effects of spin-orbit coupling on the electronic and excitonic structures of monolayer ws2

Budi Eka Dharma, Ahmad Syahroni, Muhammad Aziz Majidi

Research output: Chapter in Book/Report/Conference proceedingConference contributionpeer-review

Abstract

Transition metal dichalcogenides (TMDs) display unique properties in their monolayer structures, namely a direct band-gap transition, which becomes a promising candidate for optoelectronics applications. Among them, WS2 exhibits strong spin-orbit interaction which splits the excitonic peaks as observed in the experimental data up to ~400 meV. Unlike the other TMDs, the first excitonic peak A is very sharp for WS2, while the secondary peak B is broader with smaller relative intensity. In this paper, we perform first-principles calculations on the electronic band structure and solve the Bethe-Salpeter equation for the complex dielectric function of monolayer WS2 to study the effects of spin-orbit coupling on its excitonic structures. To resolve the excitonic peaks, in particular the B peak, we implement the double-grid method. We discuss the effects of electron-hole interaction on the absorption spectrum by comparing it with that calculated at the independent-particle level.

Original languageEnglish
Title of host publicationFunctional Properties of Modern Materials II
EditorsBudhy Kurniawan, Agustinus Agung Nugroho, Darminto, Isao Watanabe, Risdiana
PublisherTrans Tech Publications Ltd
Pages48-53
Number of pages6
ISBN (Print)9783035714968
DOIs
Publication statusPublished - 1 Jan 2019
Event4th International Conference on Functional Materials Science, ICFMS 2018 - Bali, Indonesia
Duration: 13 Nov 201815 Nov 2018

Publication series

NameMaterials Science Forum
Volume966 MSF
ISSN (Print)0255-5476

Conference

Conference4th International Conference on Functional Materials Science, ICFMS 2018
CountryIndonesia
CityBali
Period13/11/1815/11/18

Keywords

  • Bethe-Salpeter equation
  • DFT
  • Spin-orbit coupling
  • TMDs
  • WS

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