Calculations of superconducting properties in yttrium and calcium under high pressure
Shi Lei, D. A. Papaconstantopoulos, Michael J. Mehl
DOI 10.1103/PhysRevB.75.024512 · Physical Review B
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Abstract
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 Tc in these metals.
Source-reported materials — not catalogue approval
| Formula | Reported Tc (K) | Pressure (GPa) | Type |
|---|---|---|---|
| Ca Archive — visibility unverified Source-occurrence policy only; no material identity or catalogue acceptance is inferred from the formula. | 15 | 150 GPa | unknown |
| Ca Archive — visibility unverified Source-occurrence policy only; no material identity or catalogue acceptance is inferred from the formula. | 25 | 161 GPa | unknown |
| Ca Archive — visibility unverified Source-occurrence policy only; no material identity or catalogue acceptance is inferred from the formula. | 51 | 182 GPa | unknown |
| Ca Archive — visibility unverified Source-occurrence policy only; no material identity or catalogue acceptance is inferred from the formula. | 37 | 141 GPa | unknown |
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