Mahdi Ghorbani-Asl, Stefano Borini, Agnieszka Kuc, Thomas Heine
Quantum conductance calculations on the mechanically deformed monolayers of MoS$_2$ and WS$_2$ were performed using the non-equlibrium Green's functions method combined with the Landauer-B\"{u}ttiker approach for ballistic transport together with the density-functional based tight binding (DFTB) method. Tensile strain and compression causes significant changes in the electronic structure of TMD single layers and eventually the transition semiconductor-metal 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.
View original:
http://arxiv.org/abs/1301.3469
No comments:
Post a Comment