By Yusuke Nomura
This ebook covers high-transition temperature (Tc) s-wave superconductivity and the neighboring Mott insulating section 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 technique. The Hamiltonian is analyzed through the prolonged DMFT. A impressive point of the method is that it calls for in basic terms the crystal constitution as a priori knowledge.
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 info, with the variation inside of 10 K.
The publication presents information of the computational scheme, that may even be utilized to different superconductors and different phonon-related subject matters. the writer truly describes a superconducting mechanism the place the Coulomb and electron–phonon interactions convey an strange cooperation within the superconductivity due to the Jahn–Teller nature of the phonons.
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