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Phys Rev Lett. 2006 Mar 24;96(11):115502. doi: 10.1103/PhysRevLett.96.115502. Epub 2006 Mar 21.

Lattice dynamics of molybdenum at high pressure.

Physical review letters

Daniel L Farber, Michael Krisch, Daniele Antonangeli, Alexandre Beraud, James Badro, Florent Occelli, Daniel Orlikowski

Affiliations

  1. Earth Science Division, Lawrence Livermore National Laboratory, 7000 East Avenue, Livermore, California 94550, USA.

PMID: 16605838 DOI: 10.1103/PhysRevLett.96.115502

Abstract

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.

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