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arXiv · 1205.5553

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

Thomas Ayral·Philipp Werner·Silke Biermann
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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.

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Thomas Ayral, Philipp Werner, Silke Biermann. 2012-05-24. Spectral Properties of Correlated Materials: Local Vertex and Non-Local Two-Particle Correlations from Combined GW and Dynamical Mean Field Theory. https://doi.org/10.1103/physrevlett.109.226401

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