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          Institute: MPI für Festkörperforschung     Collection: FKF Publikationen 2006     Display Documents



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ID: 306031.0, MPI für Festkörperforschung / FKF Publikationen 2006
Effect of pressure on the Raman modes of antimony
Authors:Wang, X.; Kunc, K.; Loa, I.; Schwarz, U.; Syassen, K.
Language:English
Date of Publication (YYYY-MM-DD):2006
Title of Journal:Physical Review B
Volume:74
Issue / Number:13
Sequence Number of Article:134305
Review Status:Peer-review
Audience:Not Specified
Abstract / Description:The effect of pressure on the zone-center optical phonon modes of
antimony in the A7 structure has been investigated by Raman
spectroscopy. The A(g) and E-g frequencies exhibit a pronounced
softening with increasing pressure, the effect being related to a
gradual suppression of the Peierls-like distortion of the A7 phase
relative to a cubic primitive lattice. Also, both Raman modes broaden
significantly under pressure. Spectra taken at low temperature indicate
that the broadening is at least partly caused by phonon-phonon
interactions. We also report results of ab initio frozen-phonon
calculations of the A(g) and E-g mode frequencies. The presence of
strong anharmonicity is clearly apparent in calculated total energy
versus atom displacement relations. Pronounced nonlinearities in the
force versus displacement relations are observed. Structural
instabilities of the Sb A7 phase are briefly addressed in the Appendix.
External Publication Status:published
Document Type:Article
Communicated by:N. N.
Affiliations:MPI für Festkörperforschung
External Affiliations:Max Planck Inst Festkorperforsch, D-70569 Stuttgart, Germany.
; Max Planck Inst Chem Phys Stoffe, D-01187 Dresden, Germany.
Identifiers:ISI:000241723200051 [ID No:1]
ISSN:1098-0121 [ID No:2]
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