COMPTON PROFILES OF SI - PSEUDOPOTENTIAL CALCULATION AND RECONSTRUCTION EFFECTS

Citation
P. Delaney et al., COMPTON PROFILES OF SI - PSEUDOPOTENTIAL CALCULATION AND RECONSTRUCTION EFFECTS, Physical review. B, Condensed matter, 58(8), 1998, pp. 4320-4324
Citations number
18
Categorie Soggetti
Physics, Condensed Matter
ISSN journal
01631829
Volume
58
Issue
8
Year of publication
1998
Pages
4320 - 4324
Database
ISI
SICI code
0163-1829(1998)58:8<4320:CPOS-P>2.0.ZU;2-4
Abstract
Using an ab initio pseudopotential calculation, we compute Compton pro files of silicon along the (100), (110), and (111) directions, and the n reconstruct the pseudo-wave-functions to regain the oscillatory beha vior of the all-electron valence wave functions near the atomic cores. We study the effect that this reconstruction has on the Compton profi les and their anisotropies. We find a decrease in the magnitude of the profiles at small wave vectors and in their anisotropies. These chang es bring the theoretical predictions closer to experimental results.