Ab Initio Studies on Superconductivity in Alkali-Doped by Yusuke Nomura

By Yusuke Nomura

This e-book 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 thought + dynamical mean-field theory). He constructs a pragmatic electron–phonon-coupled Hamiltonian with a newly formulated downfolding technique. The Hamiltonian is analyzed by way of the prolonged DMFT. A awesome element of the technique is that it calls for simply 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 info, with the adaptation inside 10 K. 

The ebook presents information of the computational scheme, that could even be utilized to different superconductors and different phonon-related issues. 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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