Atomic scale crystal field mapping of polar vortices in oxide superlattices

Susarla, Sandhya; García-Fernández, Pablo; Ophus, Colin; Das, Sujit; Aguado-Puente, Pablo; McCarter, Margaret; Ercius, Peter; Martin, Lane W.; Ramesh, Ramamoorthy; Junquera, Javier

doi:10.1038/s41467-021-26476-5

Title: Atomic scale crystal field mapping of polar vortices in oxide superlattices

Journal Article · Mon Nov 01 00:00:00 EDT 2021 · Nature Communications

DOI:https://doi.org/10.1038/s41467-021-26476-5· OSTI ID:1829704

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^[3]; Das, Sujit ^[4];

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Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States); Univ. of California, Berkeley, CA (United States)
Univ. of Cantabria, Santander, Cantabria (Spain)
Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States)
Univ. of California, Berkeley, CA (United States)
CIC nanoGUNE BRTA (Spain)
Univ. of California, Berkeley, CA (United States); Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States)

Polar vortices in oxide superlattices exhibit complex polarization topologies. Using a combination of electron energy loss near-edge structure analysis, crystal field multiplet theory, and first-principles calculations, we probe the electronic structure within such polar vortices in [(PbTiO₃)₁₆/(SrTiO₃)₁₆] superlattices at the atomic scale. The peaks in Ti L-edge spectra shift systematically depending on the position of the Ti⁴⁺ cations within the vortices i.e., the direction and magnitude of the local dipole. First-principles computation of the local projected density of states on the Ti 3d orbitals, together with the simulated crystal field multiplet spectra derived from first principles are in good agreement with the experiments.

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Research Organization:: Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States)

Sponsoring Organization:: USDOE Office of Science (SC), Basic Energy Sciences (BES), Scientific User Facilities Division

Grant/Contract Number:: AC02-05CH11231

OSTI ID:: 1829704

Journal Information:: Nature Communications, Vol. 12, Issue 1; ISSN 2041-1723

Publisher:: Nature Publishing GroupCopyright Statement

Country of Publication:: United States

Language:: English

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