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

Authors :
Lupo, Carla
Sheridan, Evan
Fertitta, Edoardo
Dubbink, David
Pickard, Chris J.
Weber, Cedric
Source :
NPJ Computational Materials; 6/17/2021, Vol. 7 Issue 1, p1-6, 6p
Publication Year :
2021

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 Fe<superscript>2+</superscript> 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 Fe<superscript>2+</superscript> 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. [ABSTRACT FROM AUTHOR]

Details

Language :
English
ISSN :
20573960
Volume :
7
Issue :
1
Database :
Complementary Index
Journal :
NPJ Computational Materials
Publication Type :
Academic Journal
Accession number :
150974168
Full Text :
https://doi.org/10.1038/s41524-021-00563-z