Compton profile study of bonding in BeO

Citation
Kb. Joshi et al., Compton profile study of bonding in BeO, J CHEM PHYS, 111(1), 1999, pp. 163-167
Citations number
25
Categorie Soggetti
Physical Chemistry/Chemical Physics
Journal title
JOURNAL OF CHEMICAL PHYSICS
ISSN journal
00219606 → ACNP
Volume
111
Issue
1
Year of publication
1999
Pages
163 - 167
Database
ISI
SICI code
0021-9606(19990701)111:1<163:CPSOBI>2.0.ZU;2-C
Abstract
The isotropic Compton profile of BeO has been measured using a gamma-ray Co mpton spectrometer which employs a 5 Ci annular Am-241 source. The measurem ent is compared with the theoretical HF-LCAO Compton profile published by L ichanot et al. The measurement has also been compared with our calculations based on the RFA model employing different ionic wavefunctions. It is seen that the experimental Compton profile is in very good agreement with the H F-LCAO calculations. To determine the nature of bonding, equal-valence-elec tron-density Compton profile of BeO has been compared with that of the isov alent compound MgO. It is observed that the bonding in BeO is partially cov alent and less ionic than MgO in agreement with the conclusions of the HF-L CAO calculation. (C) 1999 American Institute of Physics. [S0021-9606(99)016 24-4].