Abstract
We present an investigation of the dynamic structure factor and of the dielectric function εM(Q,ω) of the prototypical semiconductor silicon for finite momentum transfer, combining inelastic x-ray scattering experiments and ab initio calculations. In contrast with optical spectra, for finite momentum transfer time-dependent density-functional theory in the adiabatic local-density approximation together with lifetime broadening describes the physics of valence excitations correctly. Major structures in the spectra, governed by short-range crystal and exchange-correlation local-field effects, are strongly influenced by a mixing of transitions of positive and negative energies, in striking difference to spectra for vanishing momentum transfer. This mixing gives rise to a pronounced Fano asymmetry.
| Original language | English |
|---|---|
| Article number | 237602 |
| Journal | Physical Review Letters |
| Volume | 97 |
| Issue number | 23 |
| DOIs | |
| Publication status | Published - 1 Jan 2006 |
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