Lill, K. A.; Stratmann, M.; Frommeyer, G.; Hassel, A. W.: Investigations on anisotropy of nickelfree alloys with combined local and trace analysis. GDCh Jahrestagung 2005, Fachgruppe Angewandte Elektrochemie, Düsseldorf, Germany (2005)
In this project we conduct together with Dr. Sandlöbes at RWTH Aachen and the department of Prof. Neugebauer ab initio calculations for designing new Mg – Li alloys. Ab initio calculations can accurately predict basic structural, mechanical, and functional properties using only the atomic composition as a basis.
The wide tunability of the fundamental electronic bandgap by size control is a key attribute of semiconductor nanocrystals, enabling applications spanning from biomedical imaging to optoelectronic devices. At finite temperature, exciton-phonon interactions are shown to exhibit a strong impact on this fundamental property.