Mapping strain modulated electronic structure perturbations in mixed phase bismuth ferrite thin films

Krishnan, P.S. Sanakara R.; Aguiar, Jeffery A.; Ramasse, Q. M.; Kepaptsoglou, D. M.; Liang, W. I.; Chu, Y. H.; Browning, Nigel D.; Munroe, Paul R.; Nagarajan, Valanoor

doi:10.1039/C4TC02064B

Title: Mapping strain modulated electronic structure perturbations in mixed phase bismuth ferrite thin films

Journal Article · Thu Jan 01 00:00:00 EST 2015 · Journal of Materials Chemistry C, 3(8):1835-1845

DOI:https://doi.org/10.1039/C4TC02064B· OSTI ID:1188885

Krishnan, P.S. Sanakara R.; Aguiar, Jeffery A.; Ramasse, Q. M.; Kepaptsoglou, D. M.; Liang, W. I.; Chu, Y. H.; Browning, Nigel D.; Munroe, Paul R.; Nagarajan, Valanoor

Strain engineering of epitaxial ferroelectrics has emerged as a powerful method to tailor the electromechanical response of these materials, although the effect of strain at the atomic scale and the interplay between lattice displacements and electronic structure changes are not yet fully understood. Here, using a combination of scanning transmission electron microscopy (STEM) and density functional theory (DFT), we systematically probe the role of epitaxial strain in mixed phase bismuth ferrite thin films. Electron energy loss O K and Fe L2,3 edge spectra acquired across the rhombohedral (R)-tetragonal (T) phase boundary reveal progressive, and systematic changes, in electronic structure going from one phase to the other. The comparison of the acquired spectra, with theoretical simulations using DFT, suggests a breakage in the structural symmetry across the boundary due to the simultaneous presence of increasing epitaxial strain and off- axial symmetry in the T phase. This implies that the imposed epitaxial strain plays a significant role in not only changing the crystal-field geometry, but also the bonding environment surrounding the central iron cation at the interface thus providing new insights and a possible link to understand how the imposed strain could perturb magnetic ordering in the T phase BFO.

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Research Organization:: Energy Frontier Research Centers (EFRC) (United States). Center for Materials at Irradiation and Mechanical Extremes (CMIME); Pacific Northwest National Laboratory (PNNL), Richland, WA (United States). Environmental Molecular Sciences Laboratory (EMSL)

Sponsoring Organization:: USDOE

DOE Contract Number:: AC05-76RL01830

OSTI ID:: 1188885

Report Number(s):: PNNL-SA-106441; 48583

Journal Information:: Journal of Materials Chemistry C, 3(8):1835-1845, Journal Name: Journal of Materials Chemistry C, 3(8):1835-1845

Country of Publication:: United States

Language:: English

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