Nonempirical study of superconductivity in alkali-doped fullerides based on density functional theory for superconductors

被引：26

作者：

Akashi, Ryosuke ^{[1
]}

Arita, Ryotaro ^{[1
,2
]}

机构：

[1] Univ Tokyo, Dept Appl Phys, Bunkyo Ku, Tokyo 1138656, Japan

[2] JST PRESTO, Kawaguchi, Saitama 3320012, Japan

来源：

PHYSICAL REVIEW B | 2013年 / 88卷 / 05期

关键词：

STATIC DIELECTRIC MATRICES; ELECTRON-PHONON; LATTICE VIBRATIONS; MOTT TRANSITION; ENERGY-GAP; RB3C60; K3C60; C-60; PSEUDOPOTENTIALS; METALS;

D O I：

10.1103/PhysRevB.88.054510

中图分类号：

T [工业技术];

学科分类号：

08 ;

摘要：

We apply the density functional theory for superconductors based on the local density approximation (LDA) to alkali-doped fullerides A(3)C(60) with a face-centered-cubic structure. We evaluate the superconducting transition temperature (T-c) from first principles considering the energy dependence of electron-phonon coupling, the mass renormalization, and the retardation effect. The calculated T-c = 7.5, 9.0, and 15.7 K for A = K, Rb, Cs are approximately 60% smaller than the experimentally observed values. Our results strongly suggest the necessity to go beyond the framework of the Migdal-Eliashberg theory based on the LDA.

引用

页数：5

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