From Clusters to Crystals: Application of the Dynamical Mean-Field Theory to Materials

Abstract:
The dynamical mean-field theory (DMFT) was developed in the 1990's for investigation of the Hubbard model. Unlike many other many-body approaches it can be easily extended to multi-band systems and thus is suitable for material specific calculations, usually called LDA+DMFT. In the first part of the talk, I will review some applications of LDA+DMFT with emphasis on qualitative differences from the results of standard bandstructure methods. In the second part, I will present our recent results on the correlation effects in band insulators, aimed at description of materials such as FeSi.