This proposal focuses on the development of a new generation of quantum transport simulation tools tackling with atomic scale issues which become of paramount importance for understanding low dimensional semiconductor devices.

On the basis of a common Green’s function formalism, the complementary expertises of partners, ranging from state-of-the-art ab initio approach, to sophisticated tight-binding and effective mass models have been combined to develop multiscale 3D device simulation codes. It allowed an in-depth analysis of quantum transport properties and field effect transistor characteristics in realistic models of both top-down ultimate MOSFETs and bottom-up CVD-grown semiconductor nanowires.
Using an upscaling strategy from ab initio to effective mass schemes, the impact of intrinsic scattering mechanisms on current characteristics have been investigated, based on a rigorous self-consistent treatment of electrostatics. Simultaneously, the quantum coherent effects in the low temperature regimes have been explored, with a focus on the spin coherence lengths in the perspective of semiconductor nanowire-based spintronics.

QUANTAMONDE project offered a natural means for fusing the expertise of different research groups and leading to breakthroughs in the understanding of nano-transistors.