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research article

Excitons on a microscopic level: The mixed dynamic structure factor

Reshetnyak, Igor  
•
Gatti, Matteo
•
Sottile, Francesco
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October 30, 2019
Physical Review Research

The dynamic structure factor of materials is proportional to their linear electronic response and it displays their excitation spectra. Usually the response is measured on the same length scale as the perturbation. Here, we illustrate that much can be gained by studying also the mixed dynamic structure factor, which connects different spatial components of perturbation and response. We extend state-of-the-art ab initio calculations to access the mixed dynamic structure factor, including excitonic effects. Using bulk silicon and lithium fluoride as prototype examples, we show that these effects play a crucial role above and below the quasiparticle gap, and are needed in order to explain coherent inelastic x-ray scattering experiments. Our approach also yields important information concerning the microscopic structure of time-dependent density functional theory.

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Type
research article
DOI
10.1103/PhysRevResearch.1.032010
Web of Science ID

WOS:000600617300002

Author(s)
Reshetnyak, Igor  
Gatti, Matteo
Sottile, Francesco
Reining, Lucia
Date Issued

2019-10-30

Publisher

AMER PHYSICAL SOC

Published in
Physical Review Research
Volume

1

Issue

3

Article Number

032010

Subjects

Physics, Multidisciplinary

•

Physics

•

electron-hole excitations

•

density-functional theory

•

dielectric-constant

•

optical-spectra

•

greens-function

•

plasmon bands

•

energy-loss

•

absorption

•

particle

•

lif

Editorial or Peer reviewed

REVIEWED

Written at

EPFL

EPFL units
IPHYS  
Available on Infoscience
January 12, 2021
Use this identifier to reference this record
https://infoscience.epfl.ch/handle/20.500.14299/174611
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