Lattice dynamics of molybdenum at high pressure.
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.
Farber
Daniel L
DL
Earth Science Division, Lawrence Livermore National Laboratory, 7000 East Avenue, Livermore, California 94550, USA.
Krisch
Michael
M
Antonangeli
Daniele
D
Beraud
Alexandre
A
Badro
James
J
Occelli
Florent
F
Orlikowski
Daniel
D