NYCCS/Physics Seminar

Jan Kunes

Institute for Physics
University of Augsburg, Germany

“Hole Doping and Local Correlations in a Charge Transfer Insulator”

Monday, January 29, 2007
Physics Building, Room B131
4:00 PM

Abstract: Charge-transfer insulators present an important subgroup of transition metal compounds which exhibit phenomena such as metal-insulator transition or high temperature superconductivity. Using a combination of ab initio bandstructure and dynamical mean-field theory we study the single particle spectrum of bunsenite, the prototypical charge-transfer insulator, and compare it with photoemission and inverse-photoemission experiments. Further, we investigate the effect of hole doping which exemplifies the role played by the local correlations and defies the band-structure intuition. I will briefly introduce the ideas behind the dynamical mean-field theory and the concept of charge-transfer insulator. The bulk of the talk will be devoted to the application of the dynamical mean-field theory on a material specific level and correlations in multi-band systems.