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Phys. Rev. Lett. 96, 115502 (2006) [4 pages]

Lattice Dynamics of Molybdenum at High Pressure

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Daniel L. Farber1, Michael Krisch2, Daniele Antonangeli1,2, Alexandre Beraud2, James Badro1,3, Florent Occelli1, and Daniel Orlikowski4
1Earth Science Division, Lawrence Livermore National Laboratory, 7000 East Avenue, Livermore, California 94550, USA and Department of Earth Sciences, University of California, Santa Cruz, California 95064, USA
2European Synchrotron Radiation Facility, B.P. 220, F-38043 Grenoble Cedex, France
3Département de Minéralogie, Institut de Minéralogie et de Physique des Milieux Condensés, Institut de Physique du Globe de Paris, Université Paris, 75005 Paris, France
4Physics and Advanced Technology Directorate, Lawrence Livermore National Laboratory, 7000 East Avenue, Livermore, California 94550, USA

Received 25 October 2005; published 21 March 2006

We have determined the lattice dynamics of molybdenum at high pressure to 37 GPa using high-resolution inelastic x-ray scattering. Over the investigated pressure range, we find a significant decrease in the H-point phonon anomaly. We also present calculations based on density functional theory that accurately predict this pressure dependence. Based on these results, we infer that the likely explanation for the H-point anomaly in molybdenum is strong electron-phonon coupling, which decreases upon compression due to the shift of the Fermi level with respect to the relevant electronic bands.

© 2006 The American Physical Society

URL:
http://link.aps.org/doi/10.1103/PhysRevLett.96.115502
DOI:
10.1103/PhysRevLett.96.115502
PACS:
63.20.Dj, 63.20.Kr, 71.15.Mb, 78.70.Ck
 
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