Asymmetric Lattice Disorder Induced at Oxide Interfaces

Spurgeon, Steven R.; Kaspar, Tiffany C.; Shutthanandan, Vaithiyalingam; Gigax, Jonathan; Shao, Lin; Sassi, Michel

doi:10.1002/admi.201901944

Title: Asymmetric Lattice Disorder Induced at Oxide Interfaces

Abstract

Control of order-disorder phase transitions is a fundamental materials science challenge, underpinning the development of energy storage technologies such as solid oxide fuel cells and batteries, ultra-high temperature ceramics, and durable nuclear waste forms. At present, the development of promising complex oxides for these applications is hindered by a poor understanding of how interfaces affect lattice disordering processes and defect transport. Here we explore the evolution of local disorder in ion-irradiated La₂Ti₂O₇/SrTiO₃ thin film heterostructures using a combination of high-resolution scanning transmission electron microscopy (STEM), position-averaged convergent beam electron diffraction (PACBED), electron energy loss spectroscopy (STEM-EELS), and ab initio theory calculations. We observe highly non-uniform lattice disordering driven by asymmetric oxygen vacancy formation across the interface. Our calculations indicate that this asymmetry results from differences in the polyhedral connectivity and vacancy formation energies of the two interface components, suggesting ways to manipulate lattice disorder in functional oxide heterostructures.

Authors:

^[1]; Kaspar, Tiffany C. ^[2]; Shutthanandan, Vaithiyalingam ^[3]; Gigax, Jonathan ^[4]; Shao, Lin ^[4]; Sassi, Michel ^[2]

Energy and Environment DirectoratePacific Northwest National Laboratory Richland WA 99352 USA
Physical and Computational Sciences DirectoratePacific Northwest National Laboratory Richland WA 99352 USA
Environmental Molecular Sciences LaboratoryPacific Northwest National Laboratory Richland WA 99352 USA
Department of Nuclear EngineeringTexas A&,M University College Station TX 77843 USA

Publication Date:: 2020-02-20

Research Org.:: Pacific Northwest National Lab. (PNNL), Richland, WA (United States)

Sponsoring Org.:: USDOE Laboratory Directed Research and Development (LDRD) Program; USDOE Office of Science (SC), Biological and Environmental Research (BER)

OSTI Identifier:: 1600867

Alternate Identifier(s):: OSTI ID: 1600871; OSTI ID: 1603102

Report Number(s):: PNNL-SA-148989
Journal ID: ISSN 2196-7350

Grant/Contract Number:: AC05-76RL01830

Resource Type:: Published Article

Journal Name:: Advanced Materials Interfaces

Additional Journal Information:: Journal Name: Advanced Materials Interfaces; Journal ID: ISSN 2196-7350

Publisher:: Wiley-VCH

Country of Publication:: Germany

Language:: English

Subject:: ab initio; ion irradiation; order‐disorder phase transitions; oxide interfaces; thin film heterostructures; 24 POWER TRANSMISSION AND DISTRIBUTION

Citation Formats


                    Spurgeon, Steven R., Kaspar, Tiffany C., Shutthanandan, Vaithiyalingam, Gigax, Jonathan, Shao, Lin, and Sassi, Michel. Asymmetric Lattice Disorder Induced at Oxide Interfaces.  Germany: N. p., 2020. 
        Web.  doi:10.1002/admi.201901944.

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                    Spurgeon, Steven R., Kaspar, Tiffany C., Shutthanandan, Vaithiyalingam, Gigax, Jonathan, Shao, Lin, & Sassi, Michel. Asymmetric Lattice Disorder Induced at Oxide Interfaces.  Germany.  doi:https://doi.org/10.1002/admi.201901944

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                    Spurgeon, Steven R., Kaspar, Tiffany C., Shutthanandan, Vaithiyalingam, Gigax, Jonathan, Shao, Lin, and Sassi, Michel. Thu .  
        "Asymmetric Lattice Disorder Induced at Oxide Interfaces".  Germany.  doi:https://doi.org/10.1002/admi.201901944.

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@article{osti_1600867,

  title        = {Asymmetric Lattice Disorder Induced at Oxide Interfaces},

  author       = {Spurgeon, Steven R. and Kaspar, Tiffany C. and Shutthanandan, Vaithiyalingam and Gigax, Jonathan and Shao, Lin and Sassi, Michel},

  abstractNote = {Control of order-disorder phase transitions is a fundamental materials science challenge, underpinning the development of energy storage technologies such as solid oxide fuel cells and batteries, ultra-high temperature ceramics, and durable nuclear waste forms. At present, the development of promising complex oxides for these applications is hindered by a poor understanding of how interfaces affect lattice disordering processes and defect transport. Here we explore the evolution of local disorder in ion-irradiated La2Ti2O7/SrTiO3 thin film heterostructures using a combination of high-resolution scanning transmission electron microscopy (STEM), position-averaged convergent beam electron diffraction (PACBED), electron energy loss spectroscopy (STEM-EELS), and ab initio theory calculations. We observe highly non-uniform lattice disordering driven by asymmetric oxygen vacancy formation across the interface. Our calculations indicate that this asymmetry results from differences in the polyhedral connectivity and vacancy formation energies of the two interface components, suggesting ways to manipulate lattice disorder in functional oxide heterostructures.},

  doi          = {10.1002/admi.201901944},

  journal      = {Advanced Materials Interfaces},

  number       = ,

  volume       = ,

  place        = {Germany},

  year         = {2020},

  month        = {2}

}

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Title: Asymmetric Lattice Disorder Induced at Oxide Interfaces

Abstract

Citation Formats

Radiation damage in nanostructured materials journal, July 2018

Response of Gd2Ti2O7 and La2Ti2O7 to swift-heavy ion irradiation and annealing journal, July 2015

Discovering mechanisms relevant for radiation damage evolution journal, May 2018

Review of A2B2O7 pyrochlore response to irradiation and pressure journal, October 2010

Atomic-scale imaging of nanoengineered oxygen vacancy profiles in SrTiO3 journal, August 2004

Effect of Cation Ordering on Oxygen Vacancy Diffusion Pathways in Double Perovskites journal, July 2015

Recent Developments in Irradiation-Resistant Steels journal, August 2008

The impact of chemical order on defect transport in mixed pyrochlores journal, January 2019

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Non-spectroscopic composition measurements of SrTiO 3 -La 0.7 Sr 0.3 MnO 3 multilayers using scanning convergent beam electron diffraction journal, February 2017

Defect-interface interactions journal, October 2015

Radiation damage at the coherent anatase interface under Ne ion irradiation journal, October 2012

Advances in the growth and characterization of magnetic, ferroelectric, and multiferroic oxide thin films journal, May 2010

Piezoelectric Ceramics with Super-High Curie Points journal, October 2009

Electron-energy-loss spectra and the structural stability of nickel oxide: An LSDA+U study journal, January 1998

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The order–disorder transition in ion-irradiated pyrochlore journal, March 2003

Orientation-specific amorphization and intercalated recrystallization at ion-irradiated SrTiO 3 /MgO interfaces journal, August 2014

Electronic Structure and Band Alignment of LaMnO 3 /SrTiO 3 Polar/Nonpolar Heterojunctions journal, November 2018

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Special points for Brillouin-zone integrations journal, June 1976

Acceptor Doping and Oxygen Vacancy Migration in Layered Perovskite NdBaInO 4 -Based Mixed Conductors journal, March 2016

Epitaxial growth and electronic structure of LaTiOx films journal, May 2002

Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set journal, October 1996

Damage evolution of ion irradiated defected-fluorite La2Zr2O7 epitaxial thin films journal, May 2017

Restoring the Density-Gradient Expansion for Exchange in Solids and Surfaces journal, April 2008

Oxide pyrochlores — A review journal, January 1983

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Deposition and characterisation of epitaxial oxide thin films for SOFCs journal, October 2010

Tuning piezoelectric properties through epitaxy of La2Ti2O7 and related thin films journal, February 2018

On the mobility of carriers at semi-coherent oxide heterointerfaces journal, January 2017

Defect interactions with stepped CeO 2 /SrTiO 3 interfaces: Implications for radiation damage evolution and fast ion conduction journal, May 2014

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Irradiation response of Nd2Zr2O7 under heavy ions irradiation journal, April 2018

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Interface-enhanced defect absorption between epitaxial anatase TiO2 film and single crystal SrTiO3 journal, November 2011

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Massively enhanced ionic transport in irradiated crystalline pyrochlore
journal, January 2019

Non-spectroscopic composition measurements of SrTiO ₃ -La _0.7 Sr _0.3 MnO ₃ multilayers using scanning convergent beam electron diffraction
journal, February 2017

Defect-interface interactions
journal, October 2015

Radiation damage at the coherent anatase interface under Ne ion irradiation
journal, October 2012

Advances in the growth and characterization of magnetic, ferroelectric, and multiferroic oxide thin films
journal, May 2010

Piezoelectric Ceramics with Super-High Curie Points
journal, October 2009

Electron-energy-loss spectra and the structural stability of nickel oxide: An LSDA+U study
journal, January 1998

Oxidation state and chemical shift investigation in transition metal oxides by EELS
journal, May 2012

Structural response of titanate pyrochlores to swift heavy ion irradiation
journal, September 2016

Applications of STEM-EELS to complex oxides
journal, July 2017

SRIM – The stopping and range of ions in matter (2010)
journal, June 2010

Radiation-induced amorphization of rare-earth titanate pyrochlores
journal, October 2003

Atomic-resolution imaging of oxidation states in manganites
journal, February 2009

Radiation Tolerance of Complex Oxides
journal, August 2000

Electron Accumulation and Emergent Magnetism in ${LaMnO}_{3} / {SrTiO}_{3}$ Heterostructures
journal, October 2017

Aberration-corrected scanning transmission electron microscopy for atomic-resolution studies of functional oxides
journal, March 2014

Four-Dimensional Scanning Transmission Electron Microscopy (4D-STEM): From Scanning Nanodiffraction to Ptychography and Beyond
journal, May 2019

Radiation damage tolerant nanomaterials
journal, November 2013

Mapping Cation Disorder in Irradiated Gd ₂ Ti ₂ O ₇ Pyrochlore by 4D-STEM
journal, August 2019

Position averaged convergent beam electron diffraction: Theory and applications
journal, January 2010

Defect Distributions and Transport in Nanocomposites: A Theoretical Perspective
journal, July 2013

Linking Interfacial Step Structure and Chemistry with Locally Enhanced Radiation-Induced Amorphization at Oxide Heterointerfaces
journal, April 2014

The order–disorder transition in ion-irradiated pyrochlore
journal, March 2003

Orientation-specific amorphization and intercalated recrystallization at ion-irradiated SrTiO ₃ /MgO interfaces
journal, August 2014

Electronic Structure and Band Alignment of LaMnO ₃ /SrTiO ₃ Polar/Nonpolar Heterojunctions
journal, November 2018

Effect of structure and composition on the electronic excitation induced amorphization of La2Ti2−xZrxO7 ceramics
journal, June 2019

Special points for Brillouin-zone integrations
journal, June 1976

Acceptor Doping and Oxygen Vacancy Migration in Layered Perovskite NdBaInO ₄ -Based Mixed Conductors
journal, March 2016

Epitaxial growth and electronic structure of LaTiOx films
journal, May 2002

Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set
journal, October 1996

Damage evolution of ion irradiated defected-fluorite La2Zr2O7 epitaxial thin films
journal, May 2017

Restoring the Density-Gradient Expansion for Exchange in Solids and Surfaces
journal, April 2008

Oxide pyrochlores — A review
journal, January 1983

Synthesis and Structural Characterization of La _{1− x} A _x MnO _2.5 (A = Ba, Sr, Ca) Phases: Mapping the Variants of the Brownmillerite Structure
journal, November 2009

Deposition and characterisation of epitaxial oxide thin films for SOFCs
journal, October 2010

Tuning piezoelectric properties through epitaxy of La2Ti2O7 and related thin films
journal, February 2018

On the mobility of carriers at semi-coherent oxide heterointerfaces
journal, January 2017

Defect interactions with stepped CeO ₂ /SrTiO ₃ interfaces: Implications for radiation damage evolution and fast ion conduction
journal, May 2014

Smart Align—a new tool for robust non-rigid registration of scanning microscope data
journal, July 2015

Irradiation response of Nd2Zr2O7 under heavy ions irradiation
journal, April 2018

Electron energy-loss near-edge structure - a tool for the investigation of electronic structure on the nanometre scale
journal, August 2001

Ion-irradiation-induced amorphization of ${La}_{2} {Zr}_{2} O_{7}$ pyrochlore
journal, August 2002

Interface-enhanced defect absorption between epitaxial anatase TiO2 film and single crystal SrTiO3
journal, November 2011