Faculté des sciences

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

Ayral, Thomas ; Werner, Philipp ; Biermann, Silke

In: Physical Review Letters, 2012, vol. 109, no. 22, p. 226401

We present a fully self-consistent combined GW and dynamical mean field (DMFT) study 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 known problems of self-consistent GW. We calculate momentum-resolved spectral functions, two-particle polarizations, and electron-loss spectra, as... Plus

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    Summary
    We present a fully self-consistent combined GW and dynamical mean field (DMFT) study 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 known problems of self-consistent GW. We calculate momentum-resolved spectral functions, two-particle polarizations, and electron-loss spectra, as well as the effective dynamical interaction induced by nonlocal screening. The momentum-dependence introduced by GW into the extended DMFT description leads to a narrowing of the quasiparticle width and more pronounced Hubbard bands in the metallic regime as one approaches the charge-ordering transition. It further affects the shape of collective modes, giving rise to dispersive plasmon-like long-wavelength and stripe modes.