k-resolved spectral functions of SrVO₃ calculated by LDA+DMFT

Igor Nekrasov

Institute of Correlations and Magnetism, Theory III, University of Augsburg, Universitaetsstr. 1, 86159 Augsburg, Germany

Coauthors: I.A. Nekrasov, K. Held, G. Keller, D.E. Kondakov, Th. Pruschke, O.K. Andersen, V.I. Anisimov, D. Vollhardt LDA+DMFT, the merger of density functional theory in the local density approximation and dynamical mean-field theory has been previously employed to calculate k-integrated spectra accessible by photoemission spectroscopy. In this paper, we propose a LDA+DMFT realization which sets up the DMFT equations for a three-orbital downfolded Hamiltonian in t2g Wannier representation, which is directly related to angle resolved photoemission spectroscopy. This approach is used to calculate k-resolved spectral functions. Results for the simple cubic transition metal oxide SrVO3 are reported