Determination of off-center displacements in NaBr : F- by nuclear magneticdouble resonance

Authors
Manmoto, Y Tei, M Nogami, J Furuyama, M
Citation
Y. Manmoto et al., Determination of off-center displacements in NaBr : F- by nuclear magneticdouble resonance, INT J QUANT, 75(4-5), 1999, pp. 961-965
Citations number
8
Categorie Soggetti
Physical Chemistry/Chemical Physics
Journal title
INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY
ISSN journal
00207608 → ACNP
Volume
75
Issue
4-5
Year of publication
1999
Pages
961 - 965
Database
ISI
SICI code
0020-7608(199911/12)75:4-5<961:DOODIN>2.0.ZU;2-T
Abstract
The measurements of the quadrupole splittings of Na+ ion in NaBr:F- crystal are performed by nuclear magnetic double resonance. The electric field gra dients produced by lattice distortion at the Na nuclei in the vicinity of t he substitutional F- impurity ion is obtained, and the displacement of Naions at (100) sites is decided. By analyzing the source of the Na- displace ment, the magnitude of the off-center displacement of F- ion along [110] di rection in NaBr crystal is determined as 0.45 Angstrom. (C) 1999 John Wiley & Sons, Inc.