The effects of k-dependent self-energy in the electronic structure of correlated materials

Abstract

It is known from self-energy calculations in the electron gas and sp materials based on the GW approximation that a typical quasiparticle renormalization factor (Z factor) is approximately 0.7-0.8. Band narrowing in electron gas at rs = 4 due to correlation effects, however, is only approximately 10%, significantly smaller than the Z factor would suggest. The band narrowing is determined by the frequency-dependent self-energy, giving the Z factor, and the momentum-dependent or nonlocal self-energy. The results for the electron gas point to a strong cancellation between the effects of frequency- and momentum-dependent self-energy. It is often assumed that for systems with a nar- row band the self-energy is local. In this work we show that even for narrow-band materials, such as SrVO3, the nonlocal self-energy is important.

7 pages, 6 figures

References in corpus (5)

• Screened Coulomb interaction in the maximally localized Wannier basis
• Efficient DMFT-simulation of the Holstein-Hubbard Model
• Momentum-resolved spectral functions of SrVO${}_3$ calculated by LDA+DMFT
• Self-Energy Effects on the Low- to High-Energy Electronic Structure of SrVO3
• General DFT++ method implemented with projector augmented waves: Electronic structure of SrVO${}_3$ and the Mott Transition in Ca${}_{2-x}$Sr${}_x$RuO${}_4$

Cited by in corpus (24)

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• Ab initio GW plus cumulant calculation for isolated band system: Application to organic conductor (TMTSF)2PF6 and transition-metal oxide SrVO3
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