AN AB-INITIO STUDY OF THE COMPRESSIONAL BEHAVIOR OF FORSTERITE

Citation
J. Brodholt et al., AN AB-INITIO STUDY OF THE COMPRESSIONAL BEHAVIOR OF FORSTERITE, The American mineralogist, 81(1-2), 1996, pp. 257-260
Citations number
12
Categorie Soggetti
Geochemitry & Geophysics",Mineralogy
Journal title
ISSN journal
0003004X
Volume
81
Issue
1-2
Year of publication
1996
Pages
257 - 260
Database
ISI
SICI code
0003-004X(1996)81:1-2<257:AASOTC>2.0.ZU;2-Z
Abstract
Ab initio calculations using the local density approximation and pseud opotentials were made on forsterite from 0 to 700 kbar. Our calculatio ns are generally consistent with almost all the experimental cell-para meter and bond-length data. In contrast to some experimental data, how ever, we find no evidence for abrupt changes in compressional mechanis m at any pressure.