Published February 15, 1993
| Published
Journal Article
Open
Mechanism of superconductivity in K_3C_(60)
- Creators
- Chen, Guanhua
-
Goddard, William A., III
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
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PNAS-1993-Chen-1350-3.pdf
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Additional details
- Alternative title
- Mechanism of superconductivity in K3C60
- PMCID
- PMC45870
- Eprint ID
- 52860
- Resolver ID
- CaltechAUTHORS:20141216-104044874
- CHE-9100284
- NSF
- Department of Energy (DOE)
- Allied Signal
- Asahi Glass
- Asahi Chemical
- BP America
- Chevron
- Xerox
- Created
-
2014-12-16Created from EPrint's datestamp field
- Updated
-
2021-11-10Created from EPrint's last_modified field