Debye-Waller factors of compounds with the caesium chloride structure

Authors
Citation
Hx. Gao et Lm. Peng, Debye-Waller factors of compounds with the caesium chloride structure, ACT CRYST A, 56, 2000, pp. 519-524
Citations number
17
Categorie Soggetti
Physical Chemistry/Chemical Physics
Journal title
ACTA CRYSTALLOGRAPHICA SECTION A
ISSN journal
01087673 → ACNP
Volume
56
Year of publication
2000
Part
6
Pages
519 - 524
Database
ISI
SICI code
0108-7673(200011)56:<519:DFOCWT>2.0.ZU;2-O
Abstract
The lattice dynamics of five compounds with the caesium chloride structure have been investigated using shell models. Debye-Waller factors for these c ompounds are calculated over the temperature range from 1 to 1000 K and the results are presented analytically in a polynomial form. When experimental results are available, the calculated results are compared to the experime ntally measured Debye-Waller factors and typically the discrepancies betwee n these factors are less than 10%.