AB-INITIO CALCULATIONS OF THE DYNAMIC-RESPONSE OF BERYLLIUM

Citation
Ne. Maddocks et al., AB-INITIO CALCULATIONS OF THE DYNAMIC-RESPONSE OF BERYLLIUM, Physical review. B, Condensed matter, 49(12), 1994, pp. 8502-8505
Citations number
32
Categorie Soggetti
Physics, Condensed Matter
ISSN journal
01631829
Volume
49
Issue
12
Year of publication
1994
Pages
8502 - 8505
Database
ISI
SICI code
0163-1829(1994)49:12<8502:ACOTDO>2.0.ZU;2-2
Abstract
We present results from ab initio calculations of the full inverse die lectric matrix of beryllium, from which we obtain the dynamic scatteri ng cross section. This is shown to be in excellent agreement with rece nt inelastic x-ray-scattering experiments, both in overall shape and i n precise details of the fine structure. As the calculations have been performed entirely within the random-phase approximation, this presen ts conclusive evidence that band-structure effects are responsible for the observed structure.