Theoretical Study of Electronic Transport in Two-Dimensional Materials

Given the present interest of the VLSI industry on two-dimensional materials, theoretical studies of their charge-transport properties may help us to identify the most promising materials and device structures. Here we focus on three main problems that we must face when undertaking this theoretical task: 1. How to assess critically the accuracy of results obtained using ab initio methods. 2. How to account for the effect that the "dielectric environment" (substrate, gate insulator, metallic gates) may have on the carrier transport. 3. How to deal with quantum-mechanical effects that may control transport in nanometer-scale devices.