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Title: Designing antiphase boundaries by atomic control of heterointerfaces

Journal Article · · Proceedings of the National Academy of Sciences of the United States of America
 [1];  [2];  [3];  [2];  [4];  [5];  [5];  [2];  [4];  [2];  [2]
  1. Department of Physics &, Astronomy, Louisiana State University, Baton Rouge, LA 70803,, Condensed Matter Physics &, Materials Science Department, Brookhaven National Laboratory, Upton, NY 11973,
  2. Department of Physics &, Astronomy, Louisiana State University, Baton Rouge, LA 70803,
  3. Department of Mechanical &, Industrial Engineering, Louisiana State University, Baton Rouge, LA 70803,
  4. Condensed Matter Physics &, Materials Science Department, Brookhaven National Laboratory, Upton, NY 11973,
  5. Consiglio Nazionale Delle Ricerche-Superconducting and Other Innovative Materials and Devices Institute (SPIN), Dipartimento di Fisica, Università di Salerno, 132 - 84084 Fisciano, Italy

Extended defects are known to have critical influences in achieving desired material performance. However, the nature of extended defect generation is highly elusive due to the presence of multiple nucleation mechanisms with close energetics. A strategy to design extended defects in a simple and clean way is thus highly desirable to advance the understanding of their role, improve material quality, and serve as a unique playground to discover new phenomena. In this work, we report an approach to create planar extended defects—antiphase boundaries (APB) —with well-defined origins via the combination of advanced growth, atomic-resolved electron microscopy, first-principals calculations, and defect theory. In La2/3Sr1/3MnO3 thin film grown on Sr2RuO4 substrate, APBs in the film naturally nucleate at the step on the substrate/film interface. For a single step, the generated APBs tend to be nearly perpendicular to the interface and propragate toward the film surface. Interestingly, when two steps are close to each other, two corresponding APBs communicate and merge together, forming a unique triangle-shaped defect domain boundary. Such behavior has been ascribed, in general, to the minimization of the surface energy of the APB. Atomic-resolved electron microscopy shows that these APBs have an intriguing antipolar structure phase, thus having the potential as a general recipe to achieve ferroelectric-like domain walls for high-density nonvolatile memory.

Research Organization:
Brookhaven National Laboratory (BNL), Upton, NY (United States)
Sponsoring Organization:
USDOE Office of Science (SC), Basic Energy Sciences (BES)
Grant/Contract Number:
SC0002136; AC02-98CH10886; SC0012704
OSTI ID:
1464332
Alternate ID(s):
OSTI ID: 1480961
Report Number(s):
BNL-209361-2018-JAAM
Journal Information:
Proceedings of the National Academy of Sciences of the United States of America, Journal Name: Proceedings of the National Academy of Sciences of the United States of America Vol. 115 Journal Issue: 38; ISSN 0027-8424
Publisher:
Proceedings of the National Academy of SciencesCopyright Statement
Country of Publication:
United States
Language:
English
Citation Metrics:
Cited by: 35 works
Citation information provided by
Web of Science

References (31)

Generalized Gradient Approximation Made Simple journal October 1996
Functional Ion Defects in Transition Metal Oxides journal August 2013
Strain Localization in Thin Films of Bi(Fe,Mn)O3 Due to the Formation of Stepped Mn4+-Rich Antiphase Boundaries journal October 2015
Formation mechanism of Ruddlesden-Popper-type antiphase boundaries during the kinetically limited growth of Sr rich SrTiO3 thin films journal December 2016
Growth of homoepitaxial SrTiO3 thin films by molecular-beam epitaxy journal April 2009
Linking Atomic Structure and Local Chemistry at Manganese-Segregated Antiphase Boundaries in ZrO 2 -La 2/3 Sr 1/3 MnO 3 Thin Films journal August 2015
Antiphase domain boundaries at the Fe 3 O 4 (001) surface journal May 2012
Defects in Solids book February 2008
QUANTUM ESPRESSO: a modular and open-source software project for quantum simulations of materials journal September 2009
Domain topology and domain switching kinetics in a hybrid improper ferroelectric journal May 2016
Crystal growth of Sr2RuO4 journal August 2000
Magnetism and magnetotransport in symmetry matched spinels: Fe 3 O 4 /MgAl 2 O 4 journal May 2013
Determination of magnetic flux density at the nanometer-scale antiphase boundary in Heusler alloy Ni50Mn25Al12.5Ga12.5 journal April 2013
Polar metals by geometric design journal April 2016
Antiphase boundaries in Ba0.75Sr0.25TiO3 epitaxial film grown on (001) LaAlO3 substrate journal February 2011
Antiphase boundary-like stacking fault in α″-martensite of disordered crystal structure in β-titanium shape memory alloy journal September 2010
Conduction at domain walls in oxide multiferroics journal January 2009
Effect of biaxial strain on the electrical and magnetic properties of (001) La0.7Sr0.3MnO3 thin films journal September 2009
Morphology, structure, and nucleation of out-of-phase boundaries (OPBs) in epitaxial films of layered oxides journal June 2007
Strain relaxation in Fe 3 O 4 / MgAl 2 O 4 heterostructures: Mechanism for formation of antiphase boundaries in an epitaxial system with identical symmetries of film and substrate journal July 2009
Ferromagnetism Stabilized by Lattice Distortion at the Surface of the p-Wave Superconductor Sr2RuO4 journal August 2000
Domain wall nanoelectronics journal February 2012
Soft self-consistent pseudopotentials in a generalized eigenvalue formalism journal April 1990
Grain boundaries in high-Tc superconductors journal May 2002
Characterization of anti-phase boundaries in epitaxial magnetite films journal November 2003
Formation Energies of Antiphase Boundaries in GaAs and GaP: An ab Initio Study journal November 2009
Misfit dislocation generation in epitaxial layers journal January 1991
Antiphase domain annihilation during growth of GaP on Si by molecular beam epitaxy journal January 2013
Ferroelectric translational antiphase boundaries in nonpolar materials journal January 2014
Advanced capabilities for materials modelling with Quantum ESPRESSO journal October 2017
Crystal growth of the new Sr2RuO4–Sr3Ru2O7 eutectic system by a floating-zone method journal August 2005