DOE PAGES title logo U.S. Department of Energy
Office of Scientific and Technical Information

Title: Polarization near dislocation cores in SrTiO3 single crystals: The role of flexoelectricity

Journal Article · · Applied Physics Letters
DOI: https://doi.org/10.1063/5.0202453 · OSTI ID:2341989
ORCiD logo [1]; ORCiD logo [2]; ORCiD logo [3]
  1. Pennsylvania State Univ., University Park, PA (United States); Shenzhen Research Institute of Big Data, Guangdong (China); Penn State University
  2. Pennsylvania State Univ., University Park, PA (United States); Lawrence Livermore National Laboratory (LLNL), Livermore, CA (United States)
  3. Pennsylvania State Univ., University Park, PA (United States)

Spontaneous polarization as large as ~28 μC/cm2 was recently observed around the dislocation cores in non-polar SrTiO3 bulk crystals, and its origin was attributed to the flexoelectric effect, i.e., polarization induced by strain gradients. However, the roles of flexoelectricity, relative to other electromechanical contributions, and the nature of dislocations, i.e., edge vs screw dislocations in the induced polarization, are not well understood. In this work, we study the role of flexoelectricity in inducing polarization around three types of dislocation cores in SrTiO3: b= a(100) edge dislocation, b= a(110) edge dislocation, and b= a(010) screw dislocation, where b is the Burgers vector. For the edge dislocations, polarization can be induced by electrostriction alone, while flexoelectricity is essential for stabilizing the symmetric polarization pattern. The shear component of the flexoelectric tensor has a dominant effect on the magnitude and spatial distribution of the flexoelectric polarization. In contrast, no polarization is induced around the b= a(010) screw dislocation through either electrostriction or flexoelectricity. Finally, our findings provide an in-depth understanding of the role of flexoelectricity in inducing polarization around dislocation cores and offer insights into the defect engineering of dielectric/ferroelectric materials.

Research Organization:
Pennsylvania State Univ., University Park, PA (United States)
Sponsoring Organization:
USDOE Office of Science (SC), Basic Energy Sciences (BES)
Grant/Contract Number:
SC0020145
OSTI ID:
2341989
Journal Information:
Applied Physics Letters, Journal Name: Applied Physics Letters Journal Issue: 13 Vol. 124; ISSN 0003-6951
Publisher:
American Institute of Physics (AIP)Copyright Statement
Country of Publication:
United States
Language:
English

References (41)

Unified ab initio formulation of flexoelectricity and strain-gradient elasticity journal June 2016
Phase transitions and domain structures in strained pseudocubic (100) Sr Ti O 3 thin films journal May 2006
Giant linear strain gradient with extremely low elastic energy in a perovskite nanostructure array journal June 2017
Atomic-scale structure relaxation, chemistry and charge distribution of dislocation cores in SrTiO3 journal January 2018
Direct observation of individual dislocation interaction processes with grain boundaries journal November 2016
Deformation behaviour of strontium titanate between room temperature and 1800 K under ambient pressure: Dedicated to Professor Dr. Peter Neumann on the occasion of his 65th birthday journal June 2004
Permittivity of Strontium Titanate journal May 1972
SrTi O 3 : An intrinsic quantum paraelectric below 4 K journal April 1979
Strain-induced room-temperature ferroelectricity in SrTiO3 membranes journal June 2020
From glissile to sessile: Effect of temperature on 〈110〉 dislocations in perovskite materials journal July 2016
Strain effects on domain structures in ferroelectric thin films from phase‐field simulations journal April 2018
Dislocations in SrTiO 3 : Easy To Reduce but Not so Fast for Oxygen Transport journal April 2015
Possible piezoelectric composites based on the flexoelectric effect journal June 1999
Direct approach for flexoelectricity from first-principles calculations: cases for SrTiO3and BaTiO3 journal September 2013
Influence of anisotropic strain on the dielectric and ferroelectric properties of SrTiO 3 thin films on DyScO 3 substrates journal June 2009
Electron Spin Resonance of Fe 3+ in SrTiO 3 with Special Reference to the 110°K Phase Transition journal September 1967
Ferroelectricity in nonstoichiometric SrTiO3 films studied by ultraviolet Raman spectroscopy journal October 2010
Conceptual Framework for Dislocation-Modified Conductivity in Oxide Ceramics Deconvoluting Mesoscopic Structure, Core, and Space Charge Exemplified for SrTiO 3 journal November 2020
Atomic-Scale Measurement of Flexoelectric Polarization at SrTiO 3 Dislocations journal June 2018
Soft Phonon Modes and the 110°K Phase Transition in SrTi O 3 journal July 1968
Ferroelectricity in Strain-Free SrTiO 3 Thin Films journal May 2010
Phase-Field Method of Phase Transitions/Domain Structures in Ferroelectric Thin Films: A Review journal June 2008
Control of polarization in bulk ferroelectrics by mechanical dislocation imprint journal May 2021
Flexoelectricity in solids: Progress, challenges, and perspectives journal December 2019
Dissociation of lattice dislocations in SrTiO3 journal March 1996
Flexoelectric polarization of barium strontium titanate in the paraelectric state journal October 2002
Dislocations in plastically deformed SrTiO 3 journal October 2006
Flexoelectric Effect in Solids journal July 2013
Induced ferroelectricity in strained epitaxial SrTiO3 films on various substrates journal August 2007
Transmission electron microscopy of dislocations in SrTiO3 journal August 2000
Flexoelectric rotation of polarization in ferroelectric thin films journal October 2011
Flexoelectric effect in ceramic lead zirconate titanate journal January 2005
Atomistic determination of flexoelectric properties of crystalline dielectrics journal August 2009
Giant Flexoelectric Effect in Ferroelectric Epitaxial Thin Films journal July 2011
Room-temperature ferroelectricity in strained SrTiO3 journal August 2004
Periodically-arrayed ferroelectric nanostructures induced by dislocation structures in strontium titanate journal January 2019
Mobility of oxygen vacancy in SrTiO 3 and its implications for oxygen-migration-based resistance switching journal August 2011
Influence of Dislocations in Transition Metal Oxides on Selected Physical and Chemical Properties journal June 2018
Dislocation-induced large local polarization inhomogeneity of ferroelectric materials journal March 2021
Observation of a periodic array of flux-closure quadrants in strained ferroelectric PbTiO3 films journal April 2015
A modified Landau–Devonshire thermodynamic potential for strontium titanate journal June 2010