Electron-phonon interactions and superconductivity in K3C60

Guanhua Chen; Yuejin Guo; Naoki Karasawa; William A. Goddard, III

doi:10.1103/PhysRevB.48.13959

← Back to search

Electron-phonon interactions and superconductivity in K3C60

Guanhua Chen, Yuejin Guo, Naoki Karasawa, William A. Goddard, III

DOI 10.1103/PhysRevB.48.13959 · Physical Review B

T1

Active bibliographic source — not scientific approval

Bibliographic access preserves source history; it does not approve extracted materials or validate reported claims. Review warnings on each occurrence separately.

Abstract

Using electronic states and phonon states from first-principles calculations on K3C60 to evaluate the quantities in the McMillan equation, we examine the effects of both electron-phonon dynamic charge coupling (Q) and Jahn-Teller coupling (JT) on various superconducting properties, including Tc, ΔTc (the shift of Tc for 1 GPa pressure), αC (the isotope exponent for →1312C), and αK (the isotope exponent for →4139K). All quantities including electron-phonon coupling are evaluated (without modification) directly from theory, except for the screening length between conducting electrons and ions, Rsc. With Rsc=0.8–1.0 Å, we find that the calculated properties, Tc, ΔTc, and αC, are all in good agreement with experimental measurements. We find that the superconducting properties depend critically upon the synergy between Q and JT coupling.

Source-reported materials — not catalogue approval

Formula	Reported Tc (K)	Pressure (GPa)	Type
K3C60 Archive — visibility unverified Source-occurrence policy only; no material identity or catalogue acceptance is inferred from the formula.	19	Pressure not reported	unknown