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Electronic structure of rare-earth nickelates from first-principles

Record Type:	Language materials, printed : Monograph/item
Title/Author:	Electronic structure of rare-earth nickelates from first-principles/ by Harrison LaBollita.
Author:	LaBollita, Harrison.
Published:	Cham :Springer Nature Switzerland : : 2024.,
Description:	xiii, 102 p. :ill. (some col.), digital ; : 24 cm.;
Notes:	"Doctoral thesis accepted by Arizona State University, USA."
Contained By:	Springer Nature eBook
Subject:	Superconductivity. -
Online resource:	https://doi.org/10.1007/978-3-031-71548-8
ISBN:	9783031715488

Electronic structure of rare-earth nickelates from first-principles
LaBollita, Harrison.

Electronic structure of rare-earth nickelates from first-principles[electronic resource] /by Harrison LaBollita. - Cham :Springer Nature Switzerland :2024. - xiii, 102 p. :ill. (some col.), digital ;24 cm. - Springer theses,2190-5061. - Springer theses..

"Doctoral thesis accepted by Arizona State University, USA."

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.

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.

ISBN: 9783031715488

Standard No.: 10.1007/978-3-031-71548-8doiSubjects--Topical Terms:

592128
Superconductivity.

LC Class. No.: QC911.92

Dewey Class. No.: 620.112973

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520 $a 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.
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