Complete phase diagram of rare-earth nickelates from first-principles

Complex oxides: Simulating the complete phase diagram of nickelates A new theoretical approach provides a complete phase diagram of rare-earth nickelates, reproducing the key features seen in experiments. Transition metal oxides with a pervoskite crystal structure exhibit a broad range of behaviours...

Descripción completa

Guardado en:

Detalles Bibliográficos
Autores principales:	Julien Varignon, Mathieu N. Grisolia, Jorge Íñiguez, Agnès Barthélémy, Manuel Bibes
Formato:	article
Lenguaje:	EN
Publicado:	Nature Portfolio 2017
Materias:	Materials of engineering and construction. Mechanics of materials TA401-492 Atomic physics. Constitution and properties of matter QC170-197
Acceso en línea:	https://doaj.org/article/3b1e0b0e7a4e41e7877246686f8baa92
Etiquetas:	Agregar Etiqueta Sin Etiquetas, Sea el primero en etiquetar este registro!

id	oai:doaj.org-article:3b1e0b0e7a4e41e7877246686f8baa92
record_format	dspace
spelling	oai:doaj.org-article:3b1e0b0e7a4e41e7877246686f8baa922021-12-02T16:05:44ZComplete phase diagram of rare-earth nickelates from first-principles10.1038/s41535-017-0024-92397-4648https://doaj.org/article/3b1e0b0e7a4e41e7877246686f8baa922017-04-01T00:00:00Zhttps://doi.org/10.1038/s41535-017-0024-9https://doaj.org/toc/2397-4648Complex oxides: Simulating the complete phase diagram of nickelates A new theoretical approach provides a complete phase diagram of rare-earth nickelates, reproducing the key features seen in experiments. Transition metal oxides with a pervoskite crystal structure exhibit a broad range of behaviours due to a complex the interplay between lattice, electronic and magnetic degrees of freedom. Rare-earth nickelates are a particularly interesting class of perovskite oxide that undergo a highly tunable (and potentially exploitable) metal-insulator transition. Theoretically describing the insulating phase of nickelates, however, is far from trivial and two seemingly distinct descriptions have emerged. A team of researchers led by Manuel Bibes at Unité Mixte de Physique CNRS/Thales use first-principles simulations to somewhat reconcile these conflicting visions, fully describing the electronic and magnetic ground state of nickelates, as well as hinting at strategies for tuning these fascinating materials.Julien VarignonMathieu N. GrisoliaJorge ÍñiguezAgnès BarthélémyManuel BibesNature PortfolioarticleMaterials of engineering and construction. Mechanics of materialsTA401-492Atomic physics. Constitution and properties of matterQC170-197ENnpj Quantum Materials, Vol 2, Iss 1, Pp 1-9 (2017)
institution	DOAJ
collection	DOAJ
language	EN
topic	Materials of engineering and construction. Mechanics of materials TA401-492 Atomic physics. Constitution and properties of matter QC170-197
spellingShingle	Materials of engineering and construction. Mechanics of materials TA401-492 Atomic physics. Constitution and properties of matter QC170-197 Julien Varignon Mathieu N. Grisolia Jorge Íñiguez Agnès Barthélémy Manuel Bibes Complete phase diagram of rare-earth nickelates from first-principles
description	Complex oxides: Simulating the complete phase diagram of nickelates A new theoretical approach provides a complete phase diagram of rare-earth nickelates, reproducing the key features seen in experiments. Transition metal oxides with a pervoskite crystal structure exhibit a broad range of behaviours due to a complex the interplay between lattice, electronic and magnetic degrees of freedom. Rare-earth nickelates are a particularly interesting class of perovskite oxide that undergo a highly tunable (and potentially exploitable) metal-insulator transition. Theoretically describing the insulating phase of nickelates, however, is far from trivial and two seemingly distinct descriptions have emerged. A team of researchers led by Manuel Bibes at Unité Mixte de Physique CNRS/Thales use first-principles simulations to somewhat reconcile these conflicting visions, fully describing the electronic and magnetic ground state of nickelates, as well as hinting at strategies for tuning these fascinating materials.
format	article
author	Julien Varignon Mathieu N. Grisolia Jorge Íñiguez Agnès Barthélémy Manuel Bibes
author_facet	Julien Varignon Mathieu N. Grisolia Jorge Íñiguez Agnès Barthélémy Manuel Bibes
author_sort	Julien Varignon
title	Complete phase diagram of rare-earth nickelates from first-principles
title_short	Complete phase diagram of rare-earth nickelates from first-principles
title_full	Complete phase diagram of rare-earth nickelates from first-principles
title_fullStr	Complete phase diagram of rare-earth nickelates from first-principles
title_full_unstemmed	Complete phase diagram of rare-earth nickelates from first-principles
title_sort	complete phase diagram of rare-earth nickelates from first-principles
publisher	Nature Portfolio
publishDate	2017
url	https://doaj.org/article/3b1e0b0e7a4e41e7877246686f8baa92
work_keys_str_mv	AT julienvarignon completephasediagramofrareearthnickelatesfromfirstprinciples AT mathieungrisolia completephasediagramofrareearthnickelatesfromfirstprinciples AT jorgeiniguez completephasediagramofrareearthnickelatesfromfirstprinciples AT agnesbarthelemy completephasediagramofrareearthnickelatesfromfirstprinciples AT manuelbibes completephasediagramofrareearthnickelatesfromfirstprinciples
_version_	1718385141021147136

Complete phase diagram of rare-earth nickelates from first-principles

Ejemplares similares