Compton profile study of bonding in BeO

The isotropic Compton profile of BeO has been measured using a γ-ray Compton spectrometer which employs a 5 Ci annular Am241 source. The measurement is compared with the theoretical HF-LCAO Compton profile published by Lichanot et al. The measurement has also been compared with our calculations base...

Full description

Saved in:
Bibliographic Details
Published in:The Journal of chemical physics 1999-07, Vol.111 (1), p.163-167
Main Authors: Joshi, K. B., Jain, Rajesh, Pandya, R. K., Ahuja, B. L., Sharma, B. K.
Format: Article
Language:English
Citations: Items that this one cites
Items that cite this one
Online Access:Get full text
Tags: Add Tag
No Tags, Be the first to tag this record!
Description
Summary:The isotropic Compton profile of BeO has been measured using a γ-ray Compton spectrometer which employs a 5 Ci annular Am241 source. The measurement is compared with the theoretical HF-LCAO Compton profile published by Lichanot 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 HF-LCAO calculations. To determine the nature of bonding, equal-valence-electron-density Compton profile of BeO has been compared with that of the isovalent compound MgO. It is observed that the bonding in BeO is partially covalent and less ionic than MgO in agreement with the conclusions of the HF-LCAO calculation.
ISSN:0021-9606
1089-7690
DOI:10.1063/1.479262