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 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 thought + dynamical mean-field theory). He constructs a pragmatic electron–phonon-coupled Hamiltonian with a newly formulated downfolding procedure. The Hamiltonian is analyzed through the prolonged DMFT. A striking element of the process 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 section. The calculated Tc consents good with the experimental facts, with the adaptation inside 10 K.
The ebook offers info of the computational scheme, which could even be utilized to different superconductors and different phonon-related themes. the writer basically 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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Additional 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