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

Content Provider	Royal Society of Chemistry (RSC)
Author	Krishnan, P. S. Sankara Rama Liang, W.-I. Browning, N. D. Chu, Y.-H. Munroe, P. Kepaptsoglou, D. M. Aguiar, Jeffery A. Ramasse, Q. M. Nagarajan, V.
Copyright Year	2015
Abstract	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.
Starting Page	1835
Ending Page	1845
Page Count	11
File Format	HTM / HTML PDF
ISSN	20507526
Volume Number	3
Issue Number	8
Journal	Journal of Materials Chemistry C
DOI	10.1039/c4tc02064b
Language	English
Publisher	Royal Society of Chemistry
Access Restriction	Open
Subject Keyword	BFO Strain engineering Interplay Entertainment Crystal structure Scanning transmission electron microscopy Density functional theory Bismuth Ferrite core Hexagonal crystal family Tetragonal crystal system Molecular geometry Ion
Content Type	Text
Resource Type	Article
Subject	Chemistry Materials Chemistry

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