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 part diagram and (2) a nonempirical calculation of Tc. For those reasons, the writer employs an extension of the DFT+DMFT (density-functional conception + 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 awesome element of the process is that it calls for simply the crystal constitution as a priori knowledge.
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 consents good with the experimental facts, with the adaptation inside 10 K.
The e-book offers information of the computational scheme, that can even be utilized to different superconductors and different phonon-related issues. the writer essentially 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 (Springer Theses)
Ab Initio Studies on Superconductivity in Alkali-Doped Fullerides (Springer Theses) by Yusuke Nomura