By Yusuke Nomura
This publication 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 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 practical electron–phonon-coupled Hamiltonian with a newly formulated downfolding procedure. The Hamiltonian is analyzed through the prolonged DMFT. A awesome point of the technique 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 consents good with the experimental information, with the adaptation inside of 10 ok.
The ebook presents information of the computational scheme, that can even be utilized to different superconductors and different phonon-related subject matters. the writer essentially describes a superconducting mechanism the place the Coulomb and electron–phonon interactions exhibit an strange cooperation within the superconductivity due to the Jahn–Teller nature of the phonons.
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Additional resources for Ab Initio Studies on Superconductivity in Alkali-Doped Fullerides
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Mazin et al.  analyzed the experimental data by the strong-coupling theory with using model Eliashberg functions. Then, they found that various experimental results are consistently explained if the low-frequency intermolecular modes and the high-frequency intramolecular modes are both relevant to the superconductivity. 2 Arguments Based on Migdal-Eliashberg Theory: Coulomb Peudopotential Another important problem is how large the Coulomb pseudopotential μ∗ is [48, 186, 188]. The Coulomb pseudopotential μ∗ is a parameter to describe the effects of Coulomb interaction on the s-wave superconductivity.
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