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Ab Initio Studies on Superconductivity in Alkali-Doped Fullerides (Hardcover, 1st ed. 2016)
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Ab Initio Studies on Superconductivity in Alkali-Doped Fullerides (Hardcover, 1st ed. 2016)
Series: Springer Theses
Expected to ship within 12 - 17 working days
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This book covers high-transition temperature (Tc) s-wave
superconductivity and the neighboring Mott insulating phase in
alkali-doped fullerides. The author presents (1) a unified
theoretical description of the phase diagram and (2) a nonempirical
calculation of Tc. For these purposes, the author employs an
extension of the DFT+DMFT (density-functional theory + dynamical
mean-field theory). He constructs a realistic
electron-phonon-coupled Hamiltonian with a newly formulated
downfolding method. The Hamiltonian is analyzed by means of the
extended DMFT. A notable aspect of the approach is that it requires
only the crystal structure as a priori knowledge. Remarkably, the
nonempirical calculation achieves for the first time a quantitative
reproduction of the experimental phase diagram including the
superconductivity and the Mott phase. The calculated Tc agrees well
with the experimental data, with the difference within 10 K. The
book provides details of the computational scheme, which can also
be applied to other superconductors and other phonon-related
topics. The author clearly describes a superconducting mechanism
where the Coulomb and electron -phonon interactions show an unusual
cooperation in the superconductivity thanks to the Jahn-Teller
nature of the phonons.
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