Electronic Structure of Rare-Earth Nickelates from First-Principles / / by Harrison LaBollita
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| Autore: |
LaBollita Harrison
|
| Titolo: |
Electronic Structure of Rare-Earth Nickelates from First-Principles / / by Harrison LaBollita
|
| Pubblicazione: | Cham : , : Springer Nature Switzerland : , : Imprint : Springer, , 2024 |
| Edizione: | 1st ed. 2024. |
| Descrizione fisica: | 1 online resource (109 pages) |
| Disciplina: | 620.112973 |
| Soggetto topico: | Superconductivity |
| Superconductors | |
| Condensed matter | |
| Materials science - Data processing | |
| Electronic structure | |
| Quantum chemistry - Computer programs | |
| Solid state physics | |
| Mathematical physics | |
| Computer simulation | |
| Structure of Condensed Matter | |
| Electronic Structure Calculations | |
| Electronic Devices | |
| Computational Physics and Simulations | |
| Nota di contenuto: | Chapter 1: Introduction -- Chapter 2: Ab-initio Approaches to Correlated Materials -- Chapter 3: Dft Trends In The Electronic Structure and Magnetic Properties of Reduced Ruddlesden-popper Nickelates -- Chapter 4: Comparing Layered Nickelate Superconductors Within Dft+Dmft -- Chapter 5: Many-body Trends of Reduced Ruddlesden-popper Nickelates -- Chapter 6: Conductivity of Infinite-layer Nickelate As A Probe of Spectator Bands -- Chapter 7: Summary and Outlook. |
| Sommario/riassunto: | This thesis demonstrates the value of theoretical approaches in the discovery of new superconducting materials. It reports a detailed study of the recently discovered nickel-oxide (nickelate) superconductors using multiple first-principles computational tools, from density functional theory to dynamical mean field theory. In the context of superconductivity, discoveries have generally been linked to serendipitous experimental discovery; this thesis reports some of the few examples of predictions of new superconductors that have later been realized in practice, a prime example of the significance of the methodology it expounds. Overall, it represents a seminal systematic work in the electronic structure theory of the emergent field of nickelate superconductivity. |
| Titolo autorizzato: | Electronic Structure of Rare-Earth Nickelates from First-Principles |
| ISBN: | 3-031-71548-9 |
| Formato: | Materiale a stampa  |
| Livello bibliografico | Monografia |
| Lingua di pubblicazione: | Inglese |
| Record Nr.: | 9910890170903321 |
| Lo trovi qui: | Univ. Federico II |
| Opac: | Controlla la disponibilità qui |
Serie:
Springer Theses, Recognizing Outstanding Ph.D. Research, . 2190-5061