Please use this identifier to cite or link to this item: https://hdl.handle.net/11147/5938
Title: Mg(OH)2-WS2 van der Waals heterobilayer: Electric field tunable band-gap crossover
Authors: Yağmurcukardeş, Mehmet
Torun, Engin
Senger, Ramazan Tuğrul
Peeters, François M.
Şahin, Hasan
Yağmurcukardeş, Mehmet
Senger, Ramazan Tuğrul
Şahin, Hasan
Izmir Institute of Technology. Physics
Izmir Institute of Technology. Photonics
Keywords: Magnesium hydroxide
Monolayer crystals
Bethe-Salpeter equation
Van der Waals interaction
Issue Date: 2016
Publisher: American Physical Society
Source: Yağmurcukardeş, M., Torun, E., Senger, R. T., Peeters, F. M., and Şahin, H. (2016). Mg(OH)2-WS2 van der Waals heterobilayer: Electric field tunable band-gap crossover. Physical Review B, 94(19). doi:10.1103/PhysRevB.94.195403
Abstract: Magnesium hydroxide [Mg(OH)2] has a layered brucitelike structure in its bulk form and was recently isolated as a new member of two-dimensional monolayer materials. We investigated the electronic and optical properties of monolayer crystals of Mg(OH)2 and WS2 and their possible heterobilayer structure by means of first-principles calculations. It was found that both monolayers of Mg(OH)2 and WS2 are direct-gap semiconductors and these two monolayers form a typical van der Waals heterostructure with a weak interlayer interaction and a type-II band alignment with a staggered gap that spatially separates electrons and holes. We also showed that an out-of-plane electric field induces a transition from a staggered to a straddling-type heterojunction. Moreover, by solving the Bethe-Salpeter equation on top of single-shot G0W0 calculations, we show that the low-energy spectrum of the heterobilayer is dominated by the intralyer excitons of the WS2 monolayer. Because of the staggered interfacial gap and the field-tunable energy-band structure, the Mg(OH)2-WS2 heterobilayer can become an important candidate for various optoelectronic device applications in nanoscale.
URI: http://doi.org/10.1103/PhysRevB.94.195403
http://hdl.handle.net/11147/5938
ISSN: 2469-9950
2469-9950
2469-9969
Appears in Collections:Photonics / Fotonik
Physics / Fizik
Scopus İndeksli Yayınlar Koleksiyonu / Scopus Indexed Publications Collection
WoS İndeksli Yayınlar Koleksiyonu / WoS Indexed Publications Collection

Files in This Item:
File Description SizeFormat 
5938.pdfMakale1.93 MBAdobe PDFThumbnail
View/Open
Show full item record

CORE Recommender

SCOPUSTM   
Citations

28
checked on Sep 18, 2021

WEB OF SCIENCETM
Citations

34
checked on Sep 18, 2021

Page view(s)

18
checked on Sep 20, 2021

Download(s)

22
checked on Sep 20, 2021

Google ScholarTM

Check

Altmetric


Items in GCRIS Repository are protected by copyright, with all rights reserved, unless otherwise indicated.