Published February 15, 1993 | Version Published
Journal Article Open

Mechanism of superconductivity in K_3C_(60)

  • 1. ROR icon California Institute of Technology

Abstract

Using electronic states and phonon states from the first-principles calculations and including both conventional electron-phonon charge coupling and Jahn-Teller coupling, we predict T_c and other superconducting properties. The only adjustable parameter in the theory is the screening length, R_(sc). Using R_(sc) = 0.8-1.0 Å, we find excellent agreement with experiment for T_c (16-18 K), pressure dependence of T_c (ΔT_c = -6 to -10 K for 1 GPa), and ^(12)C to ^(13)C isotope shift (ɑ_C = 0.2); experimental values: 19 K, -7 K, and 0.3, respectively.

Additional Information

© 1993 National Academy of Sciences. Contributed by William A. Goddard III, November 13, 1992. We thank Drs. Y. Guo and N. Karasawa for discussions and help in calculating phonon eigenvectors and frequencies. This work was supported by National Science Foundation Grant CHE-91-00284 and by the Materials Simulation Center (California Institute of Technology) supported by Department of Energy (Advanced Industrial Concepts Division), Allied-Signal, Asahi Glass, Asahi Chemical, BP America, Chevron, and Xerox.

Attached Files

Published - PNAS-1993-Chen-1350-3.pdf

Files

PNAS-1993-Chen-1350-3.pdf

Files (653.9 kB)

Name Size Download all
md5:b34b676bd187d56d090286f1eb6fcd9d
653.9 kB Preview Download

Additional details

Additional titles

Alternative title
Mechanism of superconductivity in K3C60

Identifiers

PMCID
PMC45870
Eprint ID
52860
Resolver ID
CaltechAUTHORS:20141216-104044874

Funding

NSF
CHE-9100284
Department of Energy (DOE)
Allied Signal
Asahi Glass
Asahi Chemical
BP America
Chevron
Xerox

Dates

Created
2014-12-16
Created from EPrint's datestamp field
Updated
2021-11-10
Created from EPrint's last_modified field