Direct observation of oxygen-vacancy-enhanced polarization in a SrTiO3-buffered ferroelectric BaTiO3 film on GaAs

Qiao, Qiao; Zhang, Yuyang; Contreras-Guerrero, Rocio; Droopad, Ravi; Pantelides, Sokrates T.; Pennycook, Stephen J.; Ogut, Serdar; Klie, Robert F.

doi:10.1063/1.4936159

Title: Direct observation of oxygen-vacancy-enhanced polarization in a SrTiO₃-buffered ferroelectric BaTiO₃ film on GaAs

Abstract

The integration of functional oxide thin-films on compound semiconductors can lead to a class of reconfigurable spin-based optoelectronic devices if defect-free, fully reversible active layers are stabilized. However, previous first-principles calculations predicted that SrTiO₃ thin filmsgrown on Si exhibit pinned ferroelectric behavior that is not switchable, due to the presence of interfacial vacancies. Meanwhile, piezoresponse force microscopy measurements have demonstrated ferroelectricity in BaTiO₃ grown on semiconductor substrates. The presence of interfacial oxygen vacancies in such complex-oxide/semiconductor systems remains unexplored, and their effect on ferroelectricity is controversial. Here, we use a combination of aberration-corrected scanning transmission electron microscopy and first-principles density functional theory modeling to examine the role of interfacial oxygen vacancies on the ferroelectricpolarization of a BaTiO₃ thin filmgrown on GaAs. Here, we demonstrate that interfacial oxygen vacancies enhance the polar discontinuity (and thus the single domain, out-of-plane polarization pinning in BaTiO₃), and propose that the presence of surface charge screening allows the formation of switchable domains.

Authors:

^[1]; Zhang, Yuyang ^[2]; Contreras-Guerrero, Rocio ^[3]; Droopad, Ravi ^[3]; Pantelides, Sokrates T. ^[2]; Pennycook, Stephen J. ^[4]; Ogut, Serdar ^[5]; Klie, Robert F. ^[5]

Univ. of Illinois, Chicago, IL (United States); Vanderbilt Univ., Nashville, TN (United States); Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States)
Vanderbilt Univ., Nashville, TN (United States); Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States)
Texas State Univ., San Marcos, TX (United States)
National Univ. of Singapore (Singapore)
Univ. of Illinois, Chicago, IL (United States)

Publication Date:: Mon Nov 16 00:00:00 EST 2015

Research Org.:: Vanderbilt Univ., Nashville, TN (United States); Univ. of California, Berkeley, CA (United States); Brookhaven National Lab. (BNL), Upton, NY (United States); Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States)

Sponsoring Org.:: USDOE Office of Science (SC), Basic Energy Sciences (BES)

OSTI Identifier:: 1597708

Alternate Identifier(s):: OSTI ID: 1226397; OSTI ID: 1240594; OSTI ID: 1265974

Report Number(s):: BNL-111795-2016-JA
Journal ID: ISSN 0003-6951; APPLAB; TRN: US2103176

Grant/Contract Number:: FG02-09ER46554; AC02-05CH11231; SC00112704; AC05-00OR22725

Resource Type:: Accepted Manuscript

Journal Name:: Applied Physics Letters

Additional Journal Information:: Journal Volume: 107; Journal Issue: 20; Journal ID: ISSN 0003-6951

Publisher:: American Institute of Physics (AIP)

Country of Publication:: United States

Language:: English

Subject:: 75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND SUPERFLUIDITY

Citation Formats


                    Qiao, Qiao, Zhang, Yuyang, Contreras-Guerrero, Rocio, Droopad, Ravi, Pantelides, Sokrates T., Pennycook, Stephen J., Ogut, Serdar, and Klie, Robert F. Direct observation of oxygen-vacancy-enhanced polarization in a SrTiO3-buffered ferroelectric BaTiO3 film on GaAs.  United States: N. p., 2015. 
Web.  doi:10.1063/1.4936159.

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                    Qiao, Qiao, Zhang, Yuyang, Contreras-Guerrero, Rocio, Droopad, Ravi, Pantelides, Sokrates T., Pennycook, Stephen J., Ogut, Serdar, & Klie, Robert F. Direct observation of oxygen-vacancy-enhanced polarization in a SrTiO3-buffered ferroelectric BaTiO3 film on GaAs.  United States.  https://doi.org/10.1063/1.4936159

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                    Qiao, Qiao, Zhang, Yuyang, Contreras-Guerrero, Rocio, Droopad, Ravi, Pantelides, Sokrates T., Pennycook, Stephen J., Ogut, Serdar, and Klie, Robert F. Mon .  
"Direct observation of oxygen-vacancy-enhanced polarization in a SrTiO3-buffered ferroelectric BaTiO3 film on GaAs".  United States.  https://doi.org/10.1063/1.4936159.  https://www.osti.gov/servlets/purl/1597708.

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@article{osti_1597708,

  title        = {Direct observation of oxygen-vacancy-enhanced polarization in a SrTiO3-buffered ferroelectric BaTiO3 film on GaAs},

  author       = {Qiao, Qiao and Zhang, Yuyang and Contreras-Guerrero, Rocio and Droopad, Ravi and Pantelides, Sokrates T. and Pennycook, Stephen J. and Ogut, Serdar and Klie, Robert F.},

  abstractNote = {The integration of functional oxide thin-films on compound semiconductors can lead to a class of reconfigurable spin-based optoelectronic devices if defect-free, fully reversible active layers are stabilized. However, previous first-principles calculations predicted that SrTiO3 thin filmsgrown on Si exhibit pinned ferroelectric behavior that is not switchable, due to the presence of interfacial vacancies. Meanwhile, piezoresponse force microscopy measurements have demonstrated ferroelectricity in BaTiO3 grown on semiconductor substrates. The presence of interfacial oxygen vacancies in such complex-oxide/semiconductor systems remains unexplored, and their effect on ferroelectricity is controversial. Here, we use a combination of aberration-corrected scanning transmission electron microscopy and first-principles density functional theory modeling to examine the role of interfacial oxygen vacancies on the ferroelectricpolarization of a BaTiO3 thin filmgrown on GaAs. Here, we demonstrate that interfacial oxygen vacancies enhance the polar discontinuity (and thus the single domain, out-of-plane polarization pinning in BaTiO3), and propose that the presence of surface charge screening allows the formation of switchable domains.},

  doi          = {10.1063/1.4936159},

  journal      = {Applied Physics Letters},

  number       = 20,

  volume       = 107,

  place        = {United States},

  year         = {Mon Nov 16 00:00:00 EST 2015},

  month        = {Mon Nov 16 00:00:00 EST 2015}

}

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Works referencing / citing this record:

Epitaxial growth of (111) BaTiO3 thin films on (0002) GaN substrates with SrTiO3/TiN buffer layers
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Jia, Shasha; Li, Xiaomin; Li, Guanjie
Journal of Materials Science: Materials in Electronics, Vol. 30, Issue 10
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Epitaxial Oxides on Semiconductors: From Fundamentals to New Devices
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Kumah, Divine P.; Ngai, Joseph H.; Kornblum, Lior
Advanced Functional Materials
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Ultrafast collective oxygen-vacancy flow in Ca-doped BiFeO3
journal, September 2018

Lim, Ji Soo; Lee, Jin Hong; Park, Heung-Sik
NPG Asia Materials, Vol. 10, Issue 9
DOI: 10.1038/s41427-018-0087-5

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Title: Direct observation of oxygen-vacancy-enhanced polarization in a SrTiO3-buffered ferroelectric BaTiO3 film on GaAs

Abstract

Citation Formats

Electronic properties of ferroelectric BaTiO3∕MgO capacitors on GaAs journal, October 2004

Room-temperature ferroelectricity in strained SrTiO3 journal, August 2004

Arrangement of rare-earth elements at prismatic grain boundaries in silicon nitride journal, December 2004

Three-dimensional organization of rare-earth atoms at grain boundaries in silicon nitride journal, August 2005

Microscopic study of oxygen-vacancy defects in ferroelectric perovskites journal, June 1998

Correlations between tetragonality, polarization, and ionic displacement in PbTiO 3 -derived ferroelectric perovskite solid solutions journal, October 2010

Ab initio calculation of binding and diffusion of a Ga adatom on the GaAs ( 001 ) − c ( 4 × 4 ) surface journal, July 1998

Crystalline Oxides on Silicon: The First Five Monolayers journal, October 1998

Interface dipole between two metallic oxides caused by localized oxygen vacancies journal, October 2012

Oxygen-Vacancy-Induced Polar Behavior in (LaFeO 3 ) 2 /(SrFeO 3 ) Superlattices journal, April 2014

Molecular beam epitaxial growth of BaTiO3 single crystal on Ge-on-Si(001) substrates journal, February 2011

Electrocoloration and oxygen vacancy mobility of BaTiO3 journal, November 2007

Atomic structure of epitaxial SrTiO3–GaAs(001) heterojunctions journal, October 2005

Erratum: Switching of ferroelectric polarization in epitaxial BaTiO3 films on silicon without a conducting bottom electrode journal, November 2013

Direct oxygen imaging within a ceramic interface, with some observations upon the dark contrast at the grain boundary journal, March 2011

Interface structure and film polarization in epitaxial SrTiO 3 /Si(001) journal, May 2012

Interface-induced nonswitchable domains in ferroelectric thin films journal, August 2014

Interface-Induced Polarization and Inhibition of Ferroelectricity in Epitaxial SrTiO 3 / Si journal, November 2010

Local potential and polarization screening on ferroelectric surfaces journal, March 2001

Physical Structure and Inversion Charge at a Semiconductor Interface with a Crystalline Oxide journal, July 2001

Optical waveguiding in BaTiO3∕MgO∕AlxOy∕GaAs heterostructures journal, November 2004

Atomic-Scale Compensation Phenomena at Polar Interfaces journal, November 2010

Hydrogen brightens up journal, March 2011

A high-mobility electron gas at the LaAlO3/SrTiO3 heterointerface journal, January 2004

Active Silicon Integrated Nanophotonics: Ferroelectric BaTiO 3 Devices journal, February 2014

Robust atomic resolution imaging of light elements using scanning transmission electron microscopy journal, November 2009

Atomic and electronic structures of SrTiO 3 /GaAs heterointerfaces: An 80-kV atomic-resolution electron energy-loss spectroscopy study journal, April 2012

Properties of epitaxial BaTiO 3 deposited on GaAs journal, January 2013

Light-emission properties in nanocrystalline BaTiO3 journal, October 2000

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A strong electro-optically active lead-free ferroelectric integrated on silicon journal, April 2013

Cyclic Cluster Growth in Ferroelectric Perovskites journal, October 2002

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Probing oxygen vacancy concentration and homogeneity in solid-oxide fuel-cell cathode materials on the subunit-cell level journal, August 2012

Epitaxial growth of (111) BaTiO3 thin films on (0002) GaN substrates with SrTiO3/TiN buffer layers journal, April 2019

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Title: Direct observation of oxygen-vacancy-enhanced polarization in a SrTiO₃-buffered ferroelectric BaTiO₃ film on GaAs

Electronic properties of ferroelectric BaTiO3∕MgO capacitors on GaAs
journal, October 2004

Room-temperature ferroelectricity in strained SrTiO₃
journal, August 2004

Arrangement of rare-earth elements at prismatic grain boundaries in silicon nitride
journal, December 2004

Three-dimensional organization of rare-earth atoms at grain boundaries in silicon nitride
journal, August 2005

Microscopic study of oxygen-vacancy defects in ferroelectric perovskites
journal, June 1998

Correlations between tetragonality, polarization, and ionic displacement in ${PbTiO}_{3}$ -derived ferroelectric perovskite solid solutions
journal, October 2010

Ab initio calculation of binding and diffusion of a Ga adatom on the $GaAs (001) - c (4 \times 4)$ surface
journal, July 1998

Crystalline Oxides on Silicon: The First Five Monolayers
journal, October 1998

Interface dipole between two metallic oxides caused by localized oxygen vacancies
journal, October 2012

Oxygen-Vacancy-Induced Polar Behavior in (LaFeO ₃ ) ₂ /(SrFeO ₃ ) Superlattices
journal, April 2014

Molecular beam epitaxial growth of BaTiO3 single crystal on Ge-on-Si(001) substrates
journal, February 2011

Electrocoloration and oxygen vacancy mobility of BaTiO3
journal, November 2007

Atomic structure of epitaxial SrTiO3–GaAs(001) heterojunctions
journal, October 2005

Erratum: Switching of ferroelectric polarization in epitaxial BaTiO3 films on silicon without a conducting bottom electrode
journal, November 2013

Direct oxygen imaging within a ceramic interface, with some observations upon the dark contrast at the grain boundary
journal, March 2011

Interface structure and film polarization in epitaxial SrTiO $_{3}$ /Si(001)
journal, May 2012

Interface-induced nonswitchable domains in ferroelectric thin films
journal, August 2014

Interface-Induced Polarization and Inhibition of Ferroelectricity in Epitaxial ${SrTiO}_{3} / Si$
journal, November 2010

Local potential and polarization screening on ferroelectric surfaces
journal, March 2001

Physical Structure and Inversion Charge at a Semiconductor Interface with a Crystalline Oxide
journal, July 2001

Optical waveguiding in BaTiO3∕MgO∕AlxOy∕GaAs heterostructures
journal, November 2004

Atomic-Scale Compensation Phenomena at Polar Interfaces
journal, November 2010

Hydrogen brightens up
journal, March 2011

A high-mobility electron gas at the LaAlO3/SrTiO3 heterointerface
journal, January 2004

Active Silicon Integrated Nanophotonics: Ferroelectric BaTiO ₃ Devices
journal, February 2014

Robust atomic resolution imaging of light elements using scanning transmission electron microscopy
journal, November 2009

Atomic and electronic structures of SrTiO $_{3}$ /GaAs heterointerfaces: An 80-kV atomic-resolution electron energy-loss spectroscopy study
journal, April 2012

Properties of epitaxial BaTiO ₃ deposited on GaAs
journal, January 2013

Light-emission properties in nanocrystalline BaTiO3
journal, October 2000

The influence of atomic structure on the formation of electrical barriers at grain boundaries in SrTiO3
journal, May 1999

A strong electro-optically active lead-free ferroelectric integrated on silicon
journal, April 2013

Cyclic Cluster Growth in Ferroelectric Perovskites
journal, October 2002

Hetero-epitaxy of perovskite oxides on GaAs(001) by molecular beam epitaxy
journal, August 2004

Probing oxygen vacancy concentration and homogeneity in solid-oxide fuel-cell cathode materials on the subunit-cell level
journal, August 2012

Epitaxial growth of (111) BaTiO3 thin films on (0002) GaN substrates with SrTiO3/TiN buffer layers
journal, April 2019

Epitaxial Oxides on Semiconductors: From Fundamentals to New Devices
journal, July 2019

Ultrafast collective oxygen-vacancy flow in Ca-doped BiFeO3
journal, September 2018