Yusuke Nomura's Ab Initio Studies on Superconductivity in Alkali-Doped PDF
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 provides (1) a unified theoretical description of the part 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 practical electron–phonon-coupled Hamiltonian with a newly formulated downfolding procedure. The Hamiltonian is analyzed by way of the prolonged DMFT. A impressive point of the procedure is that it calls for purely the crystal constitution as a priori wisdom.
Remarkably, the nonempirical calculation achieves for the 1st time a quantitative replica of the experimental part diagram together with the superconductivity and the Mott part. The calculated Tc is of the same opinion good with the experimental information, with the adaptation inside 10 okay.
The publication offers info of the computational scheme, which could even be utilized to different superconductors and different phonon-related themes. the writer in actual fact describes a superconducting mechanism the place the Coulomb and electron–phonon interactions convey an strange cooperation within the superconductivity because of the Jahn–Teller nature of the phonons.
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Extra resources for Ab Initio Studies on Superconductivity in Alkali-Doped Fullerides
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Ab Initio Studies on Superconductivity in Alkali-Doped Fullerides by Yusuke Nomura