Phonon dispersion of bcc iron to 10 GPa

Citation
S. Klotz et M. Braden, Phonon dispersion of bcc iron to 10 GPa, PHYS REV L, 85(15), 2000, pp. 3209-3212
Citations number
37
Categorie Soggetti
Physics
Journal title
PHYSICAL REVIEW LETTERS
ISSN journal
00319007 → ACNP
Volume
85
Issue
15
Year of publication
2000
Pages
3209 - 3212
Database
ISI
SICI code
0031-9007(20001009)85:15<3209:PDOBIT>2.0.ZU;2-Z
Abstract
The phonon dispersion of bcc iron under high pressure to 10 GPa was measure d at 300 K by inelastic neutron scattering. Its pressure dependence is surp risingly uniform. Contrary to the behavior found in other bcc elements, the re is a lack of any significant pretransitional behavior close to the marte nsitic bcc-hcp transition which could be related to the Burgers mechanism. This finding confirms predictions by spin-polarized total energy calculatio ns that explain the transition by the effect of pressure on the magnetism o f iron. The high pressure frequencies were used to develop a lattice dynami cal model from which thermodynamic quantities can be determined at any pres sure to 10 GPa.