Frequency-dependent local interactions and low-energy effective models from electronic structure calculations

By F. Aryasetiawan, M. Imada, A. Georges, Gabriel Kotliar, S. Biermann, A. Lichtenstein. 2004

537 citations recorded by the source corpus.

We propose a systematic procedure for constructing effective models of strongly correlated materials. The parameters, in particular the on-site screened Coulomb interaction $U$, are calculated from first principles, using the random-phase approximation. We derive an expression for the frequency-dependent $U(\ensuremath{\omega})$ and show, for the case of nickel, that its high-frequency part has significant influence on the spectral functions. We propose a scheme for taking into account the energy dependence of $U(\ensuremath{\omega})$, so that a model with an energy-independent local interaction can still be used for low-energy properties.

Subfields: Condensed Matter Physics, Electronic, Optical and Magnetic Materials

View Paper: https://www.semanticscholar.org/paper/bfae02fa405afdcb00a8287de7740e2919cb303d

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In Condensed Matter Physics

In Electronic, Optical and Magnetic Materials

Citations in the corpus

Recent developments in the ABINIT software package (2016, background): “Correlation energy within the Random Phase Approximation In the adiabatic-connection fluctuation-dissipation framework, the correlation energy of an electronic system can be related to the density-density correlation function, also known as the reducible polarizability.”
Maximally-localized Wannier Functions: Theory and Applications (2011, background): “…constrained DFT (Anisimov et al., 1991; Dederichs et al., 1984; McMahan et al., 1990; Nakamura et al., 2006), within the random phase approximation (Aryasetiawan et al., 2004; Miyake et al., 2009; Solovyev and Imada, 2005; Springer and Aryasetiawan, 1998), or by direct calculation of the matrix…”
Half-metallic ferromagnets: From band structure to many-body effects (2007, background): “…values of local Hubbard-like multi-orbital energydependent interactions for correlated local orbitals φi(r) which describe d states of transition metal ions (Aryasetiawan et al., 2004): Uijkl(ω) = 〈 φiφj|W̃ (ω)|φkφl 〉 (157) where W̃ does not take into account the effects of d − d screening,…”