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.
| ISBN: | 9789811014413 |
| Publication date: | 12th August 2016 |
| Author: | Yusuke Nomura |
| Publisher: | Springer an imprint of Springer Nature Singapore |
| Format: | Hardback |
| Pagination: | 143 pages |
| Series: | Springer Theses |
| Genres: |
Materials science Condensed matter physics (liquid state and solid state physics) Mathematical physics |
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.
Ab Initio Studies on Superconductivity in Alkali-Doped Fullerides features in the following genres: Materials science, Condensed matter physics (liquid state and solid state physics), Mathematical physics
Ab Initio Studies on Superconductivity in Alkali-Doped Fullerides is available in Hardback
Ab Initio Studies on Superconductivity in Alkali-Doped Fullerides was written by Yusuke Nomura and published by Springer an imprint of Springer Nature Singapore
Ab Initio Studies on Superconductivity in Alkali-Doped Fullerides has 143 pages
Yes it is part of Springer Theses series