Multi-scale simulations of metal-semiconductor contacts for nano-MOSFETs

Abstract

Multi-scale modelling of the electron transport via a metal-semiconductor interface is carried out by coupling ab initio calculations (DFT) with three-dimensional finite element ensemble Monte Carlo simulations. The results for the Mo/GaAs (001) interface show that variations of the electronic properties with the distance from the interface have a strong impact on the transport characteristics. In particular, the band gap narrowing near the interface lowers the interface resistivity by more than one order of magnitude with respect to that calculated for the idealised Schottky contact: from 2.1×10^-8 Ω·cm² to 4.7×10^-10 Ω·cm².