Overview
- Nominated as an outstanding Ph.D. thesis by The University of Tokyo’s Applied Physics Department in 2014
- Develops a novel downfolding scheme, constrained density functional perturbation theory, to construct realistic low-energy models for electron–phonon coupled systems
- Reveals an effectively negative intramolecular exchange interactions realized by the Jahn–Teller phonons, which results in a surprising synergy of phonons and Coulomb correlations behind the exotic s-wave pairing
- Reproduces quantitatively the experimental transition temperature Tc of unconventional superconductivity by an ab initio theory without introducing any empirical/scaling parameters
- Includes supplementary material: sn.pub/extras
Part of the book series: Springer Theses (Springer Theses)
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Table of contents (5 chapters)
Keywords
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.
Authors and Affiliations
About the author
Dr. Yusuke Nomura
Department of Applied Physics, The University of Tokyo
Bibliographic Information
Book Title: Ab Initio Studies on Superconductivity in Alkali-Doped Fullerides
Authors: Yusuke Nomura
Series Title: Springer Theses
DOI: https://doi.org/10.1007/978-981-10-1442-0
Publisher: Springer Singapore
eBook Packages: Physics and Astronomy, Physics and Astronomy (R0)
Copyright Information: Springer Science+Business Media Singapore 2016
Hardcover ISBN: 978-981-10-1441-3Published: 12 August 2016
Softcover ISBN: 978-981-10-9354-8Published: 12 June 2018
eBook ISBN: 978-981-10-1442-0Published: 03 August 2016
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
Topics: Strongly Correlated Systems, Superconductivity, Numerical and Computational Physics, Simulation, Solid State Physics