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Three-dimensional atomic scale electron density reconstruction of octahedral tilt epitaxy in functional perovskites.


ABSTRACT: Octahedral tilts are the most ubiquitous distortions in perovskite-related structures that can dramatically influence ferroelectric, magnetic, and electronic properties; yet the paradigm of tilt epitaxy in thin films is barely explored. Non-destructively characterizing such epitaxy in three-dimensions for low symmetry complex tilt systems composed of light anions is a formidable challenge. Here we demonstrate that the interfacial tilt epitaxy can transform ultrathin calcium titanate, a non-polar earth-abundant mineral, into high-temperature polar oxides that last above 900?K. The comprehensive picture of octahedral tilts and polar distortions is revealed by reconstructing the three-dimensional electron density maps across film-substrate interfaces with atomic resolution using coherent Bragg rod analysis. The results are complemented with aberration-corrected transmission electron microscopy, film superstructure reflections, and are in excellent agreement with density functional theory. The study could serve as a broader template for non-destructive, three-dimensional atomic resolution probing of complex low symmetry functional interfaces.

SUBMITTER: Yuan Y 

PROVIDER: S-EPMC6283878 | biostudies-literature | 2018 Dec

REPOSITORIES: biostudies-literature

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Three-dimensional atomic scale electron density reconstruction of octahedral tilt epitaxy in functional perovskites.

Yuan Yakun Y   Lu Yanfu Y   Stone Greg G   Wang Ke K   Brooks Charles M CM   Schlom Darrell G DG   Sinnott Susan B SB   Zhou Hua H   Gopalan Venkatraman V  

Nature communications 20181206 1


Octahedral tilts are the most ubiquitous distortions in perovskite-related structures that can dramatically influence ferroelectric, magnetic, and electronic properties; yet the paradigm of tilt epitaxy in thin films is barely explored. Non-destructively characterizing such epitaxy in three-dimensions for low symmetry complex tilt systems composed of light anions is a formidable challenge. Here we demonstrate that the interfacial tilt epitaxy can transform ultrathin calcium titanate, a non-polar  ...[more]

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