Joint refinement of a local wave-function model from Compton and Bragg scattering data - art. no. 235115

Citation
Jm. Gillet et al., Joint refinement of a local wave-function model from Compton and Bragg scattering data - art. no. 235115, PHYS REV B, 6323(23), 2001, pp. 5115
Citations number
31
Categorie Soggetti
Apllied Physucs/Condensed Matter/Materiales Science
Journal title
PHYSICAL REVIEW B
ISSN journal
01631829 → ACNP
Volume
6323
Issue
23
Year of publication
2001
Database
ISI
SICI code
0163-1829(20010615)6323:23<5115:JROALW>2.0.ZU;2-E
Abstract
The first joint refinement of a local wave-function model from diffraction and Compton scattering data is reported. The proposed method suits particul arly well the case of insulators. Crystalline magnesium oxide, for which bo th accurate directional Compton profiles and low-order structure factors ar e available, is chosen as a test case. In particular, it is shown that Comp ton scattering provides a wealth of additional information to the structure factors in the case of a chemical bond investigation.