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TT: Fachverband Tiefe Temperaturen

TT 9: Correlated Electrons: Metal-Insulator Transition 1

TT 9.3: Vortrag

Montag, 23. März 2009, 14:30–14:45, HSZ 03

LDA+DMFT study of metal-insulator transition in the bulk and at the surface of Ca_xSr_2−xRuO₄ — •Michael Karolak, Tim Wehling, Frank Lechermann, and Alexander Lichtenstein — I. Institut für Theoretische Physik, Universität Hamburg, Jungiusstrasse 9, 20355 Hamburg

Ca_xSr_2−xRuO₄ is an interesting model system to study the interplay of structural distortions and the electronic metal to insulator transition. We present an ab-initio study within the LDA+DMFT framework of this system. In this way we account for changes in the one particle Hamiltonian due to the structural distortions in a first principles manner. We obtain the electronic density of states and the self energy. The mechanism of the metal to insulator transition in the bulk and at the surface of this system is discussed. A strong enhancement of electron correlation effects is found for the low temperature structures.