Journal
PHYSICAL REVIEW B
Volume 75, Issue 13, Pages -Publisher
AMERICAN PHYSICAL SOC
DOI: 10.1103/PhysRevB.75.134104
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The electronic properties, lattice dynamics, and electron-phonon coupling (EPC) of the high-pressure hexagonal close-packed (hcp) phase of Xe have been examined by first-principles pseudopotential plane-wave calculations based on the density-functional perturbation theory. An electron topological transition is found around 200 GPa. The EPC is shown to increase with pressure, reaching a maximum at 215 GPa with a predicted superconducting critical temperature of 0.04 K assuming a nominal Coulomb repulsion parameter (mu(*)) of 0.1. The superconductivity is correlated with the nesting of Fermi surface. Investigation of the lattice dynamics reveals that acoustic vibrations, especially the longitudinal mode, dominate the EPC. The EPC strength was found to be strongly spatially anisotropic and localized.
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