English (United Kingdom)

https://curated-unify.zendy.io/wp-json/zendy-region/v1/featured_content/oa?rat=en

https://curated-unify.zendy.io/wp-json/zendy-region/v1/highlighted_journal/

Global: Zendy Plus annual

Presents the access of premium content as premium feature

Premium Content

Presents the keyphrase highlighting as premium feature

Keyphrase Highlighting

Presents the summarisation as premium feature

Summarisation

Insights

Presents the pdf analysis as premium feature

PDF Analysis

Presents the zaia usage as premium feature

ZAIA

Global: Zendy Tools annual

Global: Zendy Free Plan

Global: Zendy Tools monthly

Global: Zendy Plus monthly

We have performed a comprehensive first-principles study of the electronicand magnetic properties of two-dimensional (2D) transition-metal dichalcogenide(TMD) heterobilayers MX2/MoS2 (M = Mo, Cr, W, Fe, V; X = S, Se). For M = Mo,Cr, W; X=S, Se, all heterobilayers show semiconducting characteristics with anindirect bandgap with the exception of the WSe2/MoS2 heterobilayer whichretains the direct-band-gap character of the constituent monolayer. For M = Fe,V; X = S, Se, the MX2/MoS2 heterobilayers exhibit metallic characters.Particular attention of this study has been focused on engineering bandgap ofthe TMD heterobilayer materials via application of either a tensile strain oran external electric field. We find that with increasing either the biaxial oruniaxial tensile strain, the MX2/MoS2 (M=Mo, Cr, W; X=S, Se) heterobilayers canundergo a semiconductor-to-metal transition. For the WSe2/MoS2 heterobilayer, adirect-to-indirect bandgap transition may occur beyond a critical biaxial oruniaxial strain. For M (=Fe, V) and X (=S, Se), the magnetic moments of bothmetal and chalcogen atoms are enhanced when the MX2/MoS2 heterobilayers areunder a biaxial tensile strain. Moreover, the bandgap of MX2/MoS2 (M=Mo, Cr, W;X=S, Se) heterobilayers can be reduced by the electric field. For twoheterobilayers MSe2/MoS2 (M=Mo, Cr), PBE calculations suggest that theindirect-to-direct bandgap transition may occur under an external electricfield. The transition is attributed to the enhanced spontaneous polarization.The tunable bandgaps in general and possible indirect-direct bandgaptransitions due to tensile strain or external electric field endow the TMDheterobilayer materials a viable candidate for optoelectronic applications.

MoS2/MX2 heterobilayers: Bandgap engineering via tensile strain or external electrical field