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 idea + 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 striking element of the strategy 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 replica of the experimental part 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 information of the computational scheme, that can even be utilized to different superconductors and different phonon-related issues. the writer sincerely 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.
Read or Download Ab Initio Studies on Superconductivity in Alkali-Doped Fullerides (Springer Theses) PDF
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Extra info 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
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