Electronic Structure of Rare-Earth Nickelates from First-Principles

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 dynam...

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Hlavní autor:	LaBollita, Harrison (Autor)
Korporativní autor:	SpringerLink (Online service)
Médium:	Elektronický zdroj E-kniha
Jazyk:	angličtina
Vydáno:	Cham : Springer Nature Switzerland : Imprint: Springer, 2024.
Vydání:	1st ed. 2024.
Edice:	Springer Theses, Recognizing Outstanding Ph.D. Research,
Témata:	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.
On-line přístup:	https://doi.org/10.1007/978-3-031-71548-8
Tagy:	Přidat tag Žádné tagy, Buďte první, kdo vytvoří štítek k tomuto záznamu!

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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.

Electronic Structure of Rare-Earth Nickelates from First-Principles

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