Nonempirical study of superconductivity in alkali-doped fullerides based on density functional theory for superconductors
作者： Ryosuke Akashi , Ryotaro Arita
DOI: 10.1103/PHYSREVB.88.054510
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摘要: We apply the density functional theory for superconductors (SCDFT) based on local-density approximation (LDA) to alkali-doped fullerides A3C60 with face-centered cubic structure. evaluate superconducting transition temperature (Tc) from first principles considering energy dependence of electron-phonon coupling, mass renormalization, and retardation effect. The calculated Tc=7.5, 9.0 15.7 K A=K, Rb, Cs are approximately 60 % smaller than experimentally observed values. Our results strongly suggest necessity go beyond framework Migdal-Eliashberg LDA. PACS numbers:
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