Abstract
, the merger of density functional theory in the local density approximation and dynamical mean-field theory, has been mostly employed to calculate -integrated spectra accessible by photoemission spectroscopy. In this paper, we calculate -resolved spectral functions by . To this end, we employ the th order muffin-tin (NMTO) downfolding to set up an effective low-energy Hamiltonian with three orbitals. This downfolded Hamiltonian is solved by DMFT yielding -dependent spectra. Our results show a renormalized quasiparticle band over a broad energy range from to with small “kinks” discernible in the dispersion below the Fermi energy.
1 More- Received 12 August 2005
DOI:https://doi.org/10.1103/PhysRevB.73.155112
©2006 American Physical Society