Dynamical correlation effects in a weakly correlated material: Inelastic x-ray scattering and photoemission spectra of beryllium

Show simple item record

dc.contributor.author Seidu, A.
dc.contributor.author Marini, A.
dc.contributor.author Gatti, M.
dc.date.accessioned 2019-07-09T10:03:33Z
dc.date.available 2019-07-09T10:03:33Z
dc.date.issued 2018-03
dc.identifier.other DOI: 10.1103/PhysRevB.97.125144
dc.identifier.uri http://ugspace.ug.edu.gh/handle/123456789/31334
dc.description.abstract Beryllium is a weakly correlated simple metal. Still we find that dynamical correlation effects, beyond the independent-particle picture, are necessary to successfully interpret the electronic spectra measured by inelastic x-ray scattering (IXS) and photoemission spectroscopies (PES). By combining ab initio time-dependent density-functional theory (TDDFT) and many-body Green's function theory in the GW approximation (GWA), we calculate the dynamic structure factor, the quasiparticle (QP) properties and PES spectra of bulk Be. We show that band-structure effects (i.e., due to interaction with the crystal potential) and QP lifetimes (LT) are both needed in order to explain the origin of the measured double-peak features in the IXS spectra. A quantitative agreement with experiment is obtained only when LT are supplemented to the adiabatic local-density approximation (ALDA) of TDDFT. Besides the valence band, PES spectra display a satellite, a signature of dynamical correlation due to the coupling of QPs and plasmons, which we are able to reproduce thanks to the combination of the GWA for the self-energy with the cumulant expansion of the Green's function. en_US
dc.language.iso en en_US
dc.publisher Physical Review B en_US
dc.title Dynamical correlation effects in a weakly correlated material: Inelastic x-ray scattering and photoemission spectra of beryllium en_US
dc.type Article en_US


Files in this item

This item appears in the following Collection(s)

Show simple item record

Search UGSpace


Browse

My Account