Journal
PHYSICAL REVIEW B
Volume 75, Issue 2, Pages -Publisher
AMERICAN PHYSICAL SOC
DOI: 10.1103/PhysRevB.75.024512
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We have used first-principles electronic structure calculations to generate the bulk modulus as a function of volume as well as the densities of states and scattering phase shifts at the Fermi level. These quantities were used in conjunction with the rigid-muffin-tin theory of Gaspari and Gyorffy and the McMillan theory to determine the electron-phonon coupling and the superconducting transition temperature for yttrium and calcium under high pressures. Our results provide a good interpretation of the measured increase of T-c in these metals.
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