ELECTRON-PHONON INTERACTIONS AND SUPERCONDUCTIVITY IN K3C60

被引:68
|
作者
CHEN, GH
GUO, YJ
KARASAWA, N
GODDARD, WA
机构
[1] Materials and Molecular Simulation Center, Beckman Institute, 139-74, Division of Chemistry and Chemical Engineering, Pasadena
来源
PHYSICAL REVIEW B | 1993年 / 48卷 / 18期
关键词
D O I
10.1103/PhysRevB.48.13959
中图分类号
T [工业技术];
学科分类号
08 ;
摘要
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 T(c), DELTAT(c) (the shift of T(c) for 1 GPa pressure), alpha(C) (the isotope exponent for C-12 --> C-13), and alpha(K) (the isotope exponent for K-39 --> K-41). All quantities including electron-phonon coupling are evaluated (without modification) directly from theory, except for the screening length between conducting electrons and ions, R(SC). With R(SC) = 0.8 - 1.0 angstrom, we find that the calculated properties, T(c), DELTAT(c), and alpha(C), are all in good agreement with experimental measurements. We find that the superconducting properties depend critically upon the synergy between Q and JT coupling.
引用
收藏
页码:13959 / 13970
页数:12
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