TY - GEN
T1 - Effects of spin-orbit coupling on the electronic and excitonic structures of monolayer ws2
AU - Dharma, Budi Eka
AU - Syahroni, Ahmad
AU - Majidi, Muhammad Aziz
N1 - Publisher Copyright:
© 2019 Trans Tech Publications Ltd, Switzerland.
PY - 2019/1/1
Y1 - 2019/1/1
N2 - 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.
AB - 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.
KW - Bethe-Salpeter equation
KW - DFT
KW - Spin-orbit coupling
KW - TMDs
KW - WS
UR - http://www.scopus.com/inward/record.url?scp=85071936019&partnerID=8YFLogxK
U2 - 10.4028/www.scientific.net/MSF.966.48
DO - 10.4028/www.scientific.net/MSF.966.48
M3 - Conference contribution
AN - SCOPUS:85071936019
SN - 9783035714968
T3 - Materials Science Forum
SP - 48
EP - 53
BT - Functional Properties of Modern Materials II
A2 - Kurniawan, Budhy
A2 - Nugroho, Agustinus Agung
A2 - Darminto, null
A2 - Watanabe, Isao
A2 - Risdiana, null
PB - Trans Tech Publications Ltd
T2 - 4th International Conference on Functional Materials Science, ICFMS 2018
Y2 - 13 November 2018 through 15 November 2018
ER -