Most of the theoretical effort has been concentrated on the improvement, the extension and the unification of the existing models to include bonding properties, banding properties and structural properties. The combined critical path analysis-partial wave analysis (CPA-PWA) and small cluster methods have been used for a description of silicon carbide. This approach, combining a very successful effective medium long range method with a local bonding description, based on small cluster calculations, aims at achieving a fundamental understanding. This combined scheme is potentially capable of producing good quality results for a large variety of diverse physical quantities. These diverse quantities include optical transport properties, localisation parameters, mean free path, density of states at the mobility edge, inner core binding energies, changes of binding energies and other characteristics.
Funding SchemeCSC - Cost-sharing contracts