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          Institute: MPI für Festkörperforschung     Collection: FKF Publikationen 2006     Display Documents



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ID: 273554.0, MPI für Festkörperforschung / FKF Publikationen 2006
Momentum-resolved spectral functions of SrVO3 calculated by LDA+DMFT
Authors:Nekrasov, I. A.; Held, K.; Keller, G.; Kondakov, D. E.; Pruschke, T.; Kollar, M.; Andersen, O. K.; Anisimov, V. I.; Vollhardt, D.
Language:English
Date of Publication (YYYY-MM-DD):2006
Title of Journal:Physical Review B
Volume:73
Issue / Number:15
Sequence Number of Article:155112
Review Status:Peer-review
Audience:Not Specified
Abstract / Description:LDA+DMFT, the merger of density functional theory in the local density
approximation and dynamical mean-field theory, has been mostly employed
to calculate k-integrated spectra accessible by photoemission
spectroscopy. In this paper, we calculate k-resolved spectral functions
by LDA+DMFT. To this end, we employ the Nth order muffin-tin (NMTO)
downfolding to set up an effective low-energy Hamiltonian with three
t(2g) orbitals. This downfolded Hamiltonian is solved by DMFT yielding
k-dependent spectra. Our results show a renormalized quasiparticle band
over a broad energy range from -0.7 eV to +0.9 eV with small "kinks"
discernible in the dispersion below the Fermi energy.
External Publication Status:published
Document Type:Article
Communicated by:N. N.
Affiliations:MPI für Festkörperforschung
External Affiliations:Russian Acad Sci, Inst Electrophys, Ekaterinburg 620016, Russia.
; Univ Augsburg, Ctr Elect Correlat & Magnetism, D-86135 Augsburg, Germany.
; Max Planck Inst Solid State Res, D-70569 Stuttgart, Germany.
; Russian Acad Sci, Inst Met Phys, Ekaterinburg 620219, Russia.
; Univ Gottingen, Inst Theoret Phys, D-37077 Gottingen, Germany.
Identifiers:ISI:000237155100036 [ID No:1]
ISSN:1098-0121 [ID No:2]
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