Ab initio studies on superconductivity in alkali-doped fullerides /
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| Author / Creator: | Nomura, Yusuke, author. |
|---|---|
| Imprint: | Singapore : Springer, 2016. |
| Description: | 1 online resource (xx, 143 pages) : illustrations (some color) |
| Language: | English |
| Series: | Springer theses Springer theses. |
| Subject: | |
| Format: | E-Resource Book |
| URL for this record: | http://pi.lib.uchicago.edu/1001/cat/bib/11265371 |
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| 100 | 1 | |a Nomura, Yusuke, |e author. | |
| 245 | 1 | 0 | |a Ab initio studies on superconductivity in alkali-doped fullerides / |c Yusuke Nomura. |
| 264 | 1 | |a Singapore : |b Springer, |c 2016. | |
| 300 | |a 1 online resource (xx, 143 pages) : |b illustrations (some color) | ||
| 336 | |a text |b txt |2 rdacontent | ||
| 337 | |a computer |b c |2 rdamedia | ||
| 338 | |a online resource |b cr |2 rdacarrier | ||
| 347 | |a data file |2 rda | ||
| 490 | 1 | |a Springer theses | |
| 500 | |a "Doctoral thesis accepted by The University of Tokyo, Tokyo, Japan." | ||
| 504 | |a Includes bibliographical references. | ||
| 588 | 0 | |a Online resource; title from PDF title page (SpringerLink, viewed August 11, 2016). | |
| 505 | 0 | |a Supervisor's Foreword 1; Supervisor's Foreword 2; Preface; Parts of this thesis have been published in the following journal articles:; Acknowledgments; Contents; 1 Introduction to Superconductivity in Alkali-Doped Fullerides; 1.1 Superconductivity in Alkali-Doped Fullerides; 1.1.1 Historical Background; 1.1.2 Properties of Alkali-Doped Fullerides Revealed by Experiments; 1.1.3 Electronic Structure and Electronic Correlations; 1.1.4 Electron-Phonon Interactions and Phonon Frequencies; 1.1.5 On Applicability of Conventional Mechanism; 1.1.6 Unconventional Mechanisms; 1.2 Aim of the Thesis. | |
| 505 | 8 | |a 1.3 Outline of the ThesisReferences; 2 Methods: Ab Initio Downfolding and Model-Calculation Techniques; 2.1 Multi-energy-scale Ab Initio Scheme for Correlated Electrons (MACE); 2.1.1 General Framework; 2.1.2 Low-Energy Effective Hamiltonian; 2.2 Ab Initio Downfolding for Electron-Phonon Coupled Systems; 2.2.1 Density Functional Theory; 2.2.2 Maximally Localized Wannier Function; 2.2.3 Constrained Random Phase Approximation; 2.2.4 Density-Functional Perturbation Theory; 2.2.5 Constrained Density-Functional Perturbation Theory; 2.3 Analysis of Low-Energy Hamiltonian. | |
| 505 | 8 | |a 2.3.1 Dynamical Mean-Field Theory2.3.2 Extended Dynamical Mean-Field Theory; 2.3.3 Impurity Solver: Continuous-Time Quantum Monte Carlo Method; 2.3.4 Simulation of Superconducting State Within Extend DMFT; 2.4 Combining Model Derivation and Model Analysis; 2.4.1 Interfaces; 2.4.2 Overview of Whole Scheme; B. Confirmation of the Equality = t + r in Sect. 2.2.5.2; References; 3 Application of cDFPT to Alkali-Doped Fullerides; 3.1 Calculated Materials and Calculation Conditions; 3.2 cDFPT Results; 3.2.1 Partially Renormalized Phonon Frequencies. | |
| 505 | 8 | |a 3.2.2 Effective Onsite Interactions Mediated by Phonons3.2.3 Dynamical Structure of Onsite Interaction Including Coulomb and Phonon Contributions Along Real Frequency Axis; 3.3 Comparison Between Partially Renormalized and Fully Renormalized Quantities; 3.3.1 Difference in Frequencies; 3.3.2 Difference in Phonon-Mediated Interactions; 3.4 Smallness of Electron-Phonon Vertex Correction in Downfolding Procedure; References; 4 Analysis of Low-Energy Hamiltonians with Extended DMFT; 4.1 Input Parameters; 4.2 Frequency Dependence of Effective Onsite Interaction; 4.3 Phase Diagram. | |
| 505 | 8 | |a 4.3.1 Comparison Between Theory and Experiment4.3.2 Accuracy of Phase Boundaries; 4.4 Metal-Insulator Transition; 4.4.1 Physical Quantities at 40 K; 4.4.2 Spectral Functions; 4.5 Nature of Superconductivity; 4.5.1 Gap Function; 4.5.2 Pairing Mechanism; 4.5.3 Possible Explanations on Origin of Dome-Shaped Tc; References; 5 Concluding Remarks; 5.1 Summary of the Thesis; 5.2 Future Issues; References; Curriculum Vitae. | |
| 520 | |a 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- honon-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 electronƯ- honon interactions show an unusual cooperation in the superconductivity thanks to the Jahn- eller nature of the phonons. | ||
| 650 | 0 | |a Superconductivity. |0 http://id.loc.gov/authorities/subjects/sh85130584 | |
| 650 | 0 | |a Fullerenes. |0 http://id.loc.gov/authorities/subjects/sh91005662 | |
| 650 | 0 | |a Alkali metal halides. |0 http://id.loc.gov/authorities/subjects/sh86000130 | |
| 650 | 7 | |a SCIENCE |x Physics |x Electricity. |2 bisacsh | |
| 650 | 7 | |a SCIENCE |x Physics |x Electromagnetism. |2 bisacsh | |
| 650 | 7 | |a Alkali metal halides. |2 fast |0 (OCoLC)fst00805373 | |
| 650 | 7 | |a Fullerenes. |2 fast |0 (OCoLC)fst00936022 | |
| 650 | 7 | |a Superconductivity. |2 fast |0 (OCoLC)fst01138825 | |
| 655 | 0 | |a Electronic books. | |
| 655 | 4 | |a Electronic books. | |
| 776 | 0 | 8 | |i Printed edition: |z 9789811014413 |
| 830 | 0 | |a Springer theses. |0 http://id.loc.gov/authorities/names/no2010186160 | |
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