Research Update: Plentiful magnetic moments in oxygen deficient SrTiO 3

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

doi:10.1063/1.4932347

Title: Research Update: Plentiful magnetic moments in oxygen deficient SrTiO ₃

Journal Article · Thu Oct 01 00:00:00 EDT 2015 · APL Materials

DOI:https://doi.org/10.1063/1.4932347· OSTI ID:1223038

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

Correlated band theory is employed to investigate the magnetic and electronic properties of different arrangements of oxygen di- and tri-vacancy clusters in SrTiO₃. Hole and electron doping of oxygen deficient SrTiO₃ yields various degrees of magnetization as a result of the interaction between localized magnetic moments at the defected sites. Different kinds of Ti atomic orbital hybridization are described as a function of the doping level and defect geometry. We find that magnetism in SrTiO₃-d is sensitive to the arrangement of neighbouring vacancy sites, charge carrier density, and vacancy-vacancy interaction. Permanent magnetic moments in the absence of vacancy doping electrons are observed. Our description of the charged clusters of oxygen vacancies widens the previous descriptions of mono and multi-vacancies and points out the importance of the controlled formation at the atomic level of defects for the realization of transition metal oxide based devices with a desirable magnetic performance.

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Research Organization:: Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States); Argonne National Lab. (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:: 1223038

Alternate ID(s):: OSTI ID: 1223082; OSTI ID: 1237942; OSTI ID: 1421220

Journal Information:: APL Materials, Journal Name: APL Materials Vol. 3 Journal Issue: 10; ISSN 2166-532X

Publisher:: American Institute of PhysicsCopyright Statement

Country of Publication:: United States

Language:: English

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Cited by: 18 works

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Title: Research Update: Plentiful magnetic moments in oxygen deficient SrTiO ₃