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Ab-initio Numerical Simulation of
Quantum Transport in Materials
Didier Mayou
Laboratoire d'Etude des propriétés Electroniques des Solides (LEPES)
CNRS- Grenoble, France
The standard model of conduction in condensed matter is the Drude
model, which can be justified through the semi-classical Bloch-Boltzmann
theory. Yet, in many systems of great current interest, quantum
interferences occur, that are not described by the semi classical
theory. These systems require a fully quantum treatment of transport. In
the last few years it has become possible to perform ab-initio
computations that contribute to a much better understanding of the
physics of quantum transport in materials and nano-objects. Two recent
examples are presented about nanotubes and complex intermetallic phases
related to quasicrystals. |