title: Two dimensional materials beyond MoS2: noble-transition-metal dichalcogenides.
abstract: The structure and electronic structure of layered noble-transition-metal dichalcogenides MX2 (M=Pt and Pd, and chalcogenides X=S, Se, and Te) have been investigated by periodic density functional theory (DFT) calculations. The MS2 monolayers are indirect band-gap semiconductors whereas the MSe2 and MTe2 analogues show significantly smaller band gap and can even become semimetallic or metallic materials. Under mechanical strain these MX2 materials become quasi-direct band-gap semiconductors. The mechanical-deformation and electron-transport properties of these materials indicate their potential application in flexible nanoelectronics.
authors.affiliation: School of Engineering and Science, Jacobs University Bremen, 28759 Bremen (Germany). p.miro@jacobs-university.de.
authors.forename: Pere
authors.initials: P
authors.lastname: Miró
authors.forename: Mahdi
authors.initials: M
authors.lastname: Ghorbani-Asl
authors.forename: Thomas
authors.initials: T
authors.lastname: Heine
keywords: 2D materials; chalcogenides; noble metals; palladium; platinum