Spectral Properties of Correlated Materials: Local Vertex and Non-Local Two-Particle Correlations from Combined GW and Dynamical Mean Field Theory

Abstract

We present a fully self-consistent combined GW and dynamical mean field (GW+DMFT) study of the spectral properties of the extended two-dimensional Hubbard model. The inclusion of the local dynamical vertex stemming from the DMFT self-energy and polarization is shown to cure the problems of self-consistent GW in the description of spectral properties. We calculate the momentum-resolved spectral functions, the two-particle polarization and electron loss spectra, and show that the inclusion of GW in extended DMFT leads to a narrowing of the quasi-particle width and more pronounced Hubbard bands in the metallic regime as one approaches the charge-ordering transition. Finally, the momentum-dependence introduced by GW into the extended DMFT description of collective modes is found to affect their shape, giving rise to dispersive plasmon-like long-wavelength and stripe modes.

arXiv comment5 pages, 4 figures

References in corpus (15)

• Magnetic-field-induced charge-stripe order in the high temperature superconductor YBa2Cu3Oy
• The ALPS project release 2.0: Open source software for strongly correlated systems
• Quasiparticle self-consistent $GW$ method; a basis for the independent-particle approximation
• First principles approach to the electronic structure of strongly correlated systems: combining GW and DMFT
• Extended Dynamical Mean Field Theory and GW method
• Kosterlitz-Thouless Transition and Short Range Spatial Correlations in an Extended Hubbard Model
• Efficient DMFT-simulation of the Holstein-Hubbard Model
• The Band-Gap Problem in Semiconductors Revisited: Effects of Core States and Many-Body Self-Consistency
• Non Fermi Liquid Behaviour near a $T=0$ spin-glass transition
• Dynamical Screening in Correlated Electron Materials
• Electronic structure of Pu and Am metals by self consistent relativistic GW
• Self consistent GW determination of the interaction strength: application to the iron arsenide superconductors
• Dynamical screening effects in correlated materials: plasmon satellites and spectral weight transfers from a Green's function ansatz to extended dynamical mean field theory
• Many-Body Approximation Scheme Beyond GW
• 59Co NMR study of the Co states in superconducting and anhydrous cobaltates

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