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Ab Initio Studies on Superconductivity in Alkali-Doped Fullerides: Springer Theses

Autor Yusuke Nomura
en Limba Engleză Hardback – 12 aug 2016
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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Specificații

ISBN-13: 9789811014413
ISBN-10: 9811014418
Pagini: 163
Ilustrații: XX, 143 p. 27 illus., 18 illus. in color.
Dimensiuni: 155 x 235 x 11 mm
Greutate: 0.41 kg
Ediția:1st ed. 2016
Editura: Springer Nature Singapore
Colecția Springer
Seria Springer Theses

Locul publicării:Singapore, Singapore

Cuprins

Introduction to superconductivity in alkali-doped fullerides.- Methods: Ab initio downfolding and model-calculation techniques.- Application of cDFPT to alkali-doped fullerides.- Analysis of low-energy Hamiltonians with extended DMFT.- Concluding remarks.

Notă biografică

Dr. Yusuke Nomura
Department of Applied Physics, The University of Tokyo

Textul de pe ultima copertă

This book covers high-transition temperature (Tcs-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.

Caracteristici

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