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TT: Fachverband Tiefe Temperaturen

TT 51: Correlated Electrons: General Theory 1

TT 51.1: Talk

Thursday, March 14, 2013, 09:30–09:45, H6

Electronic Entanglement in Late Transition Metal Oxides — •Patrik Thunström¹, Igor Di Marco², and Olle Eriksson² — ¹TU Wien, Vienna, Austria — ²Uppsala University, Uppsala, Sweden

We present a study of the entanglement in the electronic structure of the late transition metal monoxides -- MnO, FeO, CoO, and NiO -- obtained by means of density-functional theory in the local density approximation combined with dynamical mean-field theory. Two main sources of entanglement are resolved. The interplay of crystal field effects and Coulomb interaction are shown to give the entanglement in CoO a particularly intricate form.