By Yusuke Nomura
ISBN-10: 9811014418
ISBN-13: 9789811014413
This booklet 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 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 practical electron–phonon-coupled Hamiltonian with a newly formulated downfolding technique. The Hamiltonian is analyzed via the prolonged DMFT. A extraordinary point of the procedure 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 part. The calculated Tc has the same opinion good with the experimental facts, with the adaptation inside of 10 K.
The booklet presents information of the computational scheme, that can 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 exhibit 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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Ab Initio Studies on Superconductivity in Alkali-Doped Fullerides (Springer Theses) by Yusuke Nomura
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