title: Structural stability of single-layer MoS2 under large strain.
abstract: Out-of-plane relaxation can introduce MoS(2) in flexible electronic/optoelectronic devices, while under larger strain it is possible to frustrate the structure of MoS(2). On the basis of first-principle calculations, the ideal tensile stress strain relations and failure mechanism of single-layer MoS(2) structure under large strain is investigated. The instability of phonon modes near the K point results in the decrease of tensile stress under large strain. The relative out-of-plane movement of Mo atoms is found to contribute to the mechanism of the soft phonon mode.
authors.affiliation: College of Materials Science and Engineering, Jilin University, Changchun 130012, People's Republic of China.
authors.forename: Xiaofeng
authors.initials: X
authors.lastname: Fan
authors.forename: W T
authors.initials: WT
authors.lastname: Zheng
authors.forename: Jer-Lai
authors.initials: JL
authors.lastname: Kuo
authors.forename: David J
authors.initials: DJ
authors.lastname: Singh