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Record Nr. |
UNINA9910890170903321 |
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Autore |
LaBollita Harrison |
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Titolo |
Electronic Structure of Rare-Earth Nickelates from First-Principles / / by Harrison LaBollita |
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Pubbl/distr/stampa |
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Cham : , : Springer Nature Switzerland : , : Imprint : Springer, , 2024 |
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ISBN |
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Edizione |
[1st ed. 2024.] |
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Descrizione fisica |
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1 online resource (109 pages) |
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Collana |
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Springer Theses, Recognizing Outstanding Ph.D. Research, , 2190-5061 |
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Disciplina |
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Soggetti |
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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 |
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Lingua di pubblicazione |
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Formato |
Materiale a stampa |
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Livello bibliografico |
Monografia |
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Nota di contenuto |
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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. |
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Sommario/riassunto |
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This thesis demonstrates the value of theoretical approaches in the |
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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. |
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