From Slater to Mott physics by epitaxially engineering electronic correlations in oxide interfaces

Abstract Using spin-assisted ab initio random structure searches, we explore an exhaustive quantum phase diagram of archetypal interfaced Mott insulators, i.e. lanthanum-iron and lanthanum-titanium oxides. In particular, we report that the charge transfer induced by the interfacial electronic recons...

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Autores principales:	Carla Lupo, Evan Sheridan, Edoardo Fertitta, David Dubbink, Chris J. Pickard, Cedric Weber
Formato:	article
Lenguaje:	EN
Publicado:	Nature Portfolio 2021
Materias:	Materials of engineering and construction. Mechanics of materials TA401-492 Computer software QA76.75-76.765
Acceso en línea:	https://doaj.org/article/66e3fe62e5784fddb1c8cc923ee0c5e2
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spelling	oai:doaj.org-article:66e3fe62e5784fddb1c8cc923ee0c5e22021-12-02T17:40:01ZFrom Slater to Mott physics by epitaxially engineering electronic correlations in oxide interfaces10.1038/s41524-021-00563-z2057-3960https://doaj.org/article/66e3fe62e5784fddb1c8cc923ee0c5e22021-06-01T00:00:00Zhttps://doi.org/10.1038/s41524-021-00563-zhttps://doaj.org/toc/2057-3960Abstract Using spin-assisted ab initio random structure searches, we explore an exhaustive quantum phase diagram of archetypal interfaced Mott insulators, i.e. lanthanum-iron and lanthanum-titanium oxides. In particular, we report that the charge transfer induced by the interfacial electronic reconstruction stabilises a high-spin ferrous Fe2+ state. We provide a pathway to control the strength of correlation in this electronic state by tuning the epitaxial strain, yielding a manifold of quantum electronic phases, i.e. Mott-Hubbard, charge transfer and Slater insulating states. Furthermore, we report that the electronic correlations are closely related to the structural oxygen octahedral rotations, whose control is able to stabilise the low-spin state of Fe2+ at low pressure previously observed only under the extreme high pressure conditions in the Earth’s lower mantle. Thus, we provide avenues for magnetic switching via THz radiations which have crucial implications for next generation of spintronics technologies.Carla LupoEvan SheridanEdoardo FertittaDavid DubbinkChris J. PickardCedric WeberNature PortfolioarticleMaterials of engineering and construction. Mechanics of materialsTA401-492Computer softwareQA76.75-76.765ENnpj Computational Materials, Vol 7, Iss 1, Pp 1-6 (2021)
institution	DOAJ
collection	DOAJ
language	EN
topic	Materials of engineering and construction. Mechanics of materials TA401-492 Computer software QA76.75-76.765
spellingShingle	Materials of engineering and construction. Mechanics of materials TA401-492 Computer software QA76.75-76.765 Carla Lupo Evan Sheridan Edoardo Fertitta David Dubbink Chris J. Pickard Cedric Weber From Slater to Mott physics by epitaxially engineering electronic correlations in oxide interfaces
description	Abstract Using spin-assisted ab initio random structure searches, we explore an exhaustive quantum phase diagram of archetypal interfaced Mott insulators, i.e. lanthanum-iron and lanthanum-titanium oxides. In particular, we report that the charge transfer induced by the interfacial electronic reconstruction stabilises a high-spin ferrous Fe2+ state. We provide a pathway to control the strength of correlation in this electronic state by tuning the epitaxial strain, yielding a manifold of quantum electronic phases, i.e. Mott-Hubbard, charge transfer and Slater insulating states. Furthermore, we report that the electronic correlations are closely related to the structural oxygen octahedral rotations, whose control is able to stabilise the low-spin state of Fe2+ at low pressure previously observed only under the extreme high pressure conditions in the Earth’s lower mantle. Thus, we provide avenues for magnetic switching via THz radiations which have crucial implications for next generation of spintronics technologies.
format	article
author	Carla Lupo Evan Sheridan Edoardo Fertitta David Dubbink Chris J. Pickard Cedric Weber
author_facet	Carla Lupo Evan Sheridan Edoardo Fertitta David Dubbink Chris J. Pickard Cedric Weber
author_sort	Carla Lupo
title	From Slater to Mott physics by epitaxially engineering electronic correlations in oxide interfaces
title_short	From Slater to Mott physics by epitaxially engineering electronic correlations in oxide interfaces
title_full	From Slater to Mott physics by epitaxially engineering electronic correlations in oxide interfaces
title_fullStr	From Slater to Mott physics by epitaxially engineering electronic correlations in oxide interfaces
title_full_unstemmed	From Slater to Mott physics by epitaxially engineering electronic correlations in oxide interfaces
title_sort	from slater to mott physics by epitaxially engineering electronic correlations in oxide interfaces
publisher	Nature Portfolio
publishDate	2021
url	https://doaj.org/article/66e3fe62e5784fddb1c8cc923ee0c5e2
work_keys_str_mv	AT carlalupo fromslatertomottphysicsbyepitaxiallyengineeringelectroniccorrelationsinoxideinterfaces AT evansheridan fromslatertomottphysicsbyepitaxiallyengineeringelectroniccorrelationsinoxideinterfaces AT edoardofertitta fromslatertomottphysicsbyepitaxiallyengineeringelectroniccorrelationsinoxideinterfaces AT daviddubbink fromslatertomottphysicsbyepitaxiallyengineeringelectroniccorrelationsinoxideinterfaces AT chrisjpickard fromslatertomottphysicsbyepitaxiallyengineeringelectroniccorrelationsinoxideinterfaces AT cedricweber fromslatertomottphysicsbyepitaxiallyengineeringelectroniccorrelationsinoxideinterfaces
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From Slater to Mott physics by epitaxially engineering electronic correlations in oxide interfaces

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