Quantum conductance calculations on the mechanically deformed monolayers of MoS2 and WS2 were performed using the nonequlibrium Green's functions method combined with the Landauer-Büttiker approach for ballistic transport together with the density-functional-based tight binding method. Tensile strain causes significant changes in the electronic structure of transition-metal dichalcogenide single layers and eventually the semiconductor-metal transition occurs for elongations as large as 11% for the 2D-isotropic deformations in the hexagonal structure. This transition enhances the electron transport in otherwise semiconducting materials.
|Journal||Physical Review B - Condensed Matter and Materials Physics|
|Publication status||Published - 2013 Jun 26|
All Science Journal Classification (ASJC) codes
- Electronic, Optical and Magnetic Materials
- Condensed Matter Physics