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Lattice Dynamics of Molybdenum at High Pressure

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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Daniel Farber, Michael Krisch, Daniel Antonangeli, Alexandre Beraud, James Badro, et al.. Lattice Dynamics of Molybdenum at High Pressure. Physical Review Letters, American Physical Society, 2006, 96 (11), pp.115502. ⟨10.1103/PhysRevLett.96.115502⟩. ⟨insu-01387501⟩



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