English (United Kingdom)

https://curated-unify.zendy.io/wp-json/zendy-region/v1/featured_content/oa?rat=en

https://curated-unify.zendy.io/wp-json/zendy-region/v1/highlighted_journal/

Global: Zendy Plus annual

Presents the access of premium content as premium feature

Premium Content

Presents the keyphrase highlighting as premium feature

Keyphrase Highlighting

Presents the summarisation as premium feature

Summarisation

Insights

Presents the pdf analysis as premium feature

PDF Analysis

Presents the zaia usage as premium feature

ZAIA

Global: Zendy Tools annual

Global: Zendy Free Plan

Global: Zendy Tools monthly

Global: Zendy Plus monthly

The implementation of ultrasoft pseudopotentials into time-dependentdensity-functional perturbation theory is detailed for both the Sternheimerapproach and the Liouville-Lanczos (LL) method, and equations are presented inthe scalar relativistic approximation for periodic solids with finite momentumtransfer q. The LL method is applied to calculations of the electron energyloss (EEL) spectrum of face-centered cubic bulk Au both at vanishing and finiteq. Our study reveals the richness of the physics underlying the variouscontributions to the density fluctuation in gold. In particular, ourcalculations suggest the existence in gold of two quasi-separate 5d and 6selectron gasses, each one oscillating with its own frequency at resp. 5.1 eVand 10.2 eV. We find that the contribution near 2.2 eV comes from 5d to 6sinterband transitions modified by the intraband contribution to the real partof the dielectric function, which we call a mixed excitation.

Electron energy loss spectroscopy of bulk gold with ultrasoft pseudopotentials and the Liouville-Lanczos method