Phonon dispersion of bcc iron to 10 GPa

被引:95
作者
Klotz, S
Braden, M
机构
[1] Univ Pierre & Marie Curie B77, UMR 7602, F-75252 Paris, France
[2] CE Saclay, Lab Leon Brillouin, F-91191 Gif Sur Yvette, France
[3] IFP, Forschungszentrum Karlsruhe, D-76021 Karlsruhe, Germany
关键词
D O I
10.1103/PhysRevLett.85.3209
中图分类号
O4 [物理学];
学科分类号
0702 ;
摘要
The phonon dispersion of bcc iron under high pressure to 10 GPa was measured at 300 K by inelastic neutron scattering. Its pressure dependence is surprisingly uniform. Contrary to the behavior found in other bcc elements, there is a lack of any significant pretransitional behavior close to the martensitic bcc-hcp transition which could be related to the Burgers mechanism. This finding confirms predictions by spin-polarized total energy calculations that explain the transition by the effect of pressure on the magnetism of iron. The high pressure frequencies were used to develop a lattice dynamical model from which thermodynamic quantities can be determined at any pressure to 10 GPa.
引用
收藏
页码:3209 / 3212
页数:4
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