About this book
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.
- Book Title Ab Initio Studies on Superconductivity in Alkali-Doped Fullerides
- Series Title Springer Theses
- Series Abbreviated Title Springer Theses
- DOI https://doi.org/10.1007/978-981-10-1442-0
- Copyright Information Springer Science+Business Media Singapore 2016
- Publisher Name Springer, Singapore
- eBook Packages Physics and Astronomy Physics and Astronomy (R0)
- Hardcover ISBN 978-981-10-1441-3
- Softcover ISBN 978-981-10-9354-8
- eBook ISBN 978-981-10-1442-0
- Series ISSN 2190-5053
- Series E-ISSN 2190-5061
- Edition Number 1
- Number of Pages XX, 143
- Number of Illustrations 9 b/w illustrations, 18 illustrations in colour
Strongly Correlated Systems, Superconductivity
Numerical and Computational Physics, Simulation
Solid State Physics
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