Atomic scale crystal field mapping of polar vortices in oxide superlattices

Sandhya Susarla (), Pablo García-Fernández, Colin Ophus, Sujit Das, Pablo Aguado-Puente, Margaret McCarter, Peter Ercius, Lane W. Martin, Ramamoorthy Ramesh () and Javier Junquera ()
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Sandhya Susarla: Lawrence Berkeley National Laboratory
Pablo García-Fernández: Universidad de Cantabria, Cantabria Campus Internacional, Avenida de los Castros s/n
Colin Ophus: Lawrence Berkeley National Laboratory
Sujit Das: University of California
Pablo Aguado-Puente: CIC nanoGUNE BRTA
Margaret McCarter: University of California
Peter Ercius: Lawrence Berkeley National Laboratory
Lane W. Martin: University of California
Ramamoorthy Ramesh: Lawrence Berkeley National Laboratory
Javier Junquera: Universidad de Cantabria, Cantabria Campus Internacional, Avenida de los Castros s/n

Nature Communications, 2021, vol. 12, issue 1, 1-7

Abstract: Abstract 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 $$L$$ 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 $$3d$$ 3 d orbitals, together with the simulated crystal field multiplet spectra derived from first principles are in good agreement with the experiments.

Date: 2021
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DOI: 10.1038/s41467-021-26476-5

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