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TT: Tiefe Temperaturen

TT 31: Correlated Electrons: Metal Insulator Transition - Part 2

TT 31.13: Talk

Thursday, March 30, 2006, 17:15–17:30, HSZ 301

Spectral properties of correlated materials — •Jan M. Tomczak — Centre de Physique Theorique, Ecole Polytechnique, 91128 Palaiseau, France

Strong Coulomb interactions in solids can give rise to phenomena in the electronic excitation spectrum that lie beyond the one-particle picture, and are thus not accessible by density functional theory in the local density approximation (LDA), or any static treatment of the correlations (as in LDA+U). Among these are large transfers of spectral weight, the appearance of satellite structures and non-negligeable lifetime effects. By means of analytical continuation of Quantum Monte-Carlo data obtained within the framework of LDA + Dynamical Mean-Field Theory, we determine the real-frequency selfenergy for realistic materials. Therewith interesting quantities, such as k-resolved spectral functions, quasi-particle bands and optical conductivities become accessible. We discuss technical aspects of the scheme, and, as an application, we make predictions for angle resolved photoemission spectra of vanadium dioxide.