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

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.Comment: 7 pages, 6 figure

Competition between Energy-Dependent U and Nonlocal Self-Energy in Correlated Materials: Application of GW+DMFT to SrVO3

We describe an implementation of the GW+DMFT method and apply it to calculate the electronic structure of SrVO₃. Our results show that there is a strong competition between the frequency-dependent Hubbard U and the non-local self-energy via the GW approximation. It is crucial to take into account these two aspects in order to obtain an accurate and coherent picture of the quasi-particle band structure and satellite features of SrVO₃. Our main conclusion is that the GW+DMFT results for SrVO₃ are not attainable within the GW approximation or the LDA+DMFT scheme

GW approximation with self-screening correction

The \emph{GW} approximation takes into account electrostatic self-interaction contained in the Hartree potential through the exchange potential. However, it has been known for a long time that the approximation contains self-screening error as evident in the case of the hydrogen atom. When applied to the hydrogen atom, the \emph{GW} approximation does not yield the exact result for the electron removal spectra because of the presence of self-screening: the hole left behind is erroneously screened by the only electron in the system which is no longer present. We present a scheme to take into account self-screening and show that the removal of self-screening is equivalent to including exchange diagrams, as far as self-screening is concerned. The scheme is tested on a model hydrogen dimer and it is shown that the scheme yields the exact result to second order in $(U_{0}-U_{1})/2t$ where $U_{0}$ and $U_{1}$ are respectively the onsite and offsite Hubbard interaction parameters and $t$ the hopping parameter.Comment: 9 pages, 2 figures; Submitted to Phys. Rev.

Beam Performance of Tracking Detectors with Industrially Produced GEM Foils

Three Gas-Electron-Multiplier tracking detectors with an active area of 10 cm x 10 cm and a two-dimensional, laser-etched orthogonal strip readout have been tested extensively in particle beams at the Meson Test Beam Facility at Fermilab. These detectors used GEM foils produced by Tech-Etch, Inc. They showed an efficiency in excess of 95% and spatial resolution better than 70 um. The influence of the angle of incidence of particles on efficiency and spatial resolution was studied in detail.Comment: 8 pages, 9 figures, accepted by Nuclear Instruments and Methods in Physics Research

Downfolded Self-Energy of Many-Electron Systems

Starting from the full many-body Hamiltonian of interacting electrons the effective self-energy acting on electrons residing in a subspace of the full Hilbert space is derived. This subspace may correspond to, for example, partially filled narrow bands, which often characterize strongly correlated materials. The formalism delivers naturally the frequency-dependent effective interaction (the Hubbard U) and provides a general framework for constructing theoretical models based on the Green function language. It also furnishes a general scheme for first-principles calculations of complex systems in which the main correlation effects are concentrated on a small subspace of the full Hilbert space.Comment: 5 page