Lattice Dynamics of Molybdenum at High PressureReport as inadecuate

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1 UCSC - University of California Santa Cruz 2 Earth Science Division, Lawrence Livermore National Laboratory, 7000 East Avenue, Livermore, California 94550, USA 3 ESRF - European Synchrotron Radiation Facility 4 IPGP - Institut de Physique du Globe de Paris 5 Laboratoire de Minéralogie-Cristallographie de Paris UMR 7590 6 Physics and Advanced Technology Directorate

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.

Author: Daniel Farber - Michael Krisch - Daniel Antonangeli - Alexandre Beraud - James Badro - Florent Occelli - Daniel Orlikowski -



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