Content:
Simplified models of the electronic structure
|
The group of Dr. Madsen develops in close collaboration with the ASG Modelling a framework for obtaining tight-binding models of the electronic structure by projecting the full density functional theory Hamiltonian on an atomic orbital-like minimal basis set.
Group Members
BoltzTraP Boltzmann Transport Properties (BoltzTraP) is a program
for calculating the semi-classic transport coefficients.
Open Positions: If you are interested in a PhD position in this group, please have a look here. |
Contact: Dr. Georg Madsen Email: georg.madsen@rub.de |
Recent Publications
L. Bjerg, G. Madsen, B. Iversen, Enhanced thermoelectric properties in zinc antimonides, Chemistry of Materials, 23, 3907-3914, (2011)
L. Ferrighi, G. Madsen, B. Hammer, Self-consistent meta-generalized gradient approximation study of adsorption of aromatic molecules on noble metal surfaces, Journal of Chemical Physics, 135, 084704, (2011)
E. J. McEniry, G. Madsen, J. Drain, R. Drautz, Tight-binding simulation of transition-metal alloys, Journal of Physics: Condensed Matter, 23, 276004, (2011)
T. Hammerschmidt, G. Madsen, J. Rogal, R. Drautz, From electrons to materials, Physica Status Solidi B - Basic Solid State Physics, 248, 2213, (2011)
H. Jeschke, I. Opahle, H. Kandpal, R. Valenti, et al. Multistep approach to microscopic models for frustrated quantum magnets: The case of the natural mineral azurite, Physical Review Letters, 106, 217201, (2011)
