By Yusuke Nomura
This e-book covers high-transition temperature (Tc) s-wave superconductivity and the neighboring Mott insulating part in alkali-doped fullerides. the writer offers (1) a unified theoretical description of the section diagram and (2) a nonempirical calculation of Tc. For those reasons, the writer employs an extension of the DFT+DMFT (density-functional concept + dynamical mean-field theory). He constructs a pragmatic electron–phonon-coupled Hamiltonian with a newly formulated downfolding process. The Hamiltonian is analyzed via the prolonged DMFT. A striking element of the process is that it calls for purely the crystal constitution as a priori wisdom.
Remarkably, the nonempirical calculation achieves for the 1st time a quantitative copy of the experimental section diagram together with the superconductivity and the Mott part. The calculated Tc is of the same opinion good with the experimental facts, with the variation inside 10 ok.
The publication presents info of the computational scheme, which may even be utilized to different superconductors and different phonon-related subject matters. the writer in actual fact describes a superconducting mechanism the place the Coulomb and electron–phonon interactions exhibit an strange cooperation within the superconductivity due to the Jahn–Teller nature of the phonons.
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Extra info for Ab Initio Studies on Superconductivity in Alkali-Doped Fullerides
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