Magnetism and Metal-Insulator Transition in Oxygen Deficient SrTiO3

Lopez-Bezanilla, Alejandro; Ganesh, Panchapakesan; Littlewood, Peter B.

doi:10.1103/PhysRevB.92.115112

Title: Magnetism and Metal-Insulator Transition in Oxygen Deficient SrTiO₃

Journal Article · Tue Sep 08 00:00:00 EDT 2015 · Physical Review. B, Condensed Matter and Materials Physics

DOI:https://doi.org/10.1103/PhysRevB.92.115112· OSTI ID:1215569

Lopez-Bezanilla, Alejandro ^[1]; Ganesh, Panchapakesan ^[2]; Littlewood, Peter B. ^[3]

Argonne National Lab. (ANL), Argonne, IL (United States)
Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States)
Argonne National Lab. (ANL), Argonne, IL (United States); Univ. of Chicago, IL (United States)

First-principles calculations to study the electronic and magnetic properties of bulk, oxygen-deficient SrTiO₃ (STO) under different doping conditions and densities have been conducted. The appearance of magnetism in oxygen-deficient STO is not determined solely by the presence of a single oxygen vacancy but by the density of free carriers and the relative proximity of the vacant sites. We find that while an isolated vacancy behaves as a non-magnetic double donor, manipulation of the doping conditions allows the stability of a single donor state, with emergent local moments coupled ferromagnetically by carriers in the conduction band (CB). Strong local lattice distortions enhance the binding of this state. As a result, the energy of the in-gap local moment can be further tuned by orthorhombic strain. Consequently we find that the free- carrier density and strain are fundamental components to obtaining trapped spin-polarized electrons in oxygen-deficient STO, which may have important implications in the design of optical devices.

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Research Organization:: Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States); Argonne National Laboratory (ANL), Argonne, IL (United States)

Sponsoring Organization:: USDOE Office of Science (SC), Basic Energy Sciences (BES)

Grant/Contract Number:: AC02-06CH11357; AC05-00OR22725

OSTI ID:: 1215569

Alternate ID(s):: OSTI ID: 1214345; OSTI ID: 1357892

Journal Information:: Physical Review. B, Condensed Matter and Materials Physics, Vol. 92; ISSN 1098-0121

Publisher:: American Physical Society (APS)Copyright Statement

Country of Publication:: United States

Language:: English

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Cited by: 40 works

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In Situ Control of Separate Electronic Phases on SrTiO ₃ Surfaces by Oxygen Dosing Dudy, Lenart; Sing, Michael; Scheiderer, Philipp Advanced Materials, Vol. 28, Issue 34 https://doi.org/10.1002/adma.201600046	journal	June 2016
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