Abstract
The high-temperature behavior of an intrinsically localized mode (ILM) in was measured using inelastic neutron scattering. The mode, which forms above on the [010] boundary, becomes undetectable at . Thermodynamic and transport anomalies that develop with the ILM persist to temperatures above , but mechanical and electronic anomalies show changes at both 450 and . Anisotropic thermal expansion shows that ILMs drive the structure toward hexagonal symmetry. On the zone boundary, which becomes equivalent to [010] under a hexagonal distortion, a normal mode shows a softening coincident with the disappearance of the ILMs. We argue that the symmetry local to the ILMs becomes hexagonal above , causing ILMs to hop between equivalent orientations and putting the structure on a path toward the high-temperature phase (bcc).
- Received 13 December 2007
DOI:https://doi.org/10.1103/PhysRevB.77.052301
©2008 American Physical Society