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

Title: Strain tuning of electronic structure in Bi4Ti3O12-LaCoO3 epitaxial thin films

Abstract

In this study, we investigated the crystal and electronic structures of ferroelectric Bi4Ti3O12 single-crystalline thin films site-specifically substituted with LaCoO3 (LCO). The epitaxial films were grown by pulsed laser epitaxy on NdGaO3 and SrTiO3 substrates to vary the degree of strain. With increasing the LCO substitution, we observed a systematic increase in the c-axis lattice constant of the Aurivillius phase related with the modification of pseudo-orthorhombic unit cells. These compositional and structural changes resulted in a systematic decrease in the band gap, i.e., the optical transition energy between the oxygen 2p and transition-metal 3d states, based on a spectroscopic ellipsometry study. In particular, the Co 3d state seems to largely overlap with the Ti t2g state, decreasing the band gap. Interestingly, the applied tensile strain facilitates the band-gap narrowing, demonstrating that epitaxial strain is a useful tool to tune the electronic structure of ferroelectric transition-metal oxides.

Authors:
 [1];  [2]
  1. Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States); Sungkyunkwan Univ., Suwon (Korea)
  2. Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States)
Publication Date:
Research Org.:
Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)
Sponsoring Org.:
USDOE Office of Science (SC)
OSTI Identifier:
1193186
Alternate Identifier(s):
OSTI ID: 1179192
Grant/Contract Number:  
AC05-00OR22725
Resource Type:
Accepted Manuscript
Journal Name:
Physical Review. B, Condensed Matter and Materials Physics
Additional Journal Information:
Journal Volume: 91; Journal Issue: 17; Journal ID: ISSN 1098-0121
Publisher:
American Physical Society (APS)
Country of Publication:
United States
Language:
English
Subject:
36 MATERIALS SCIENCE

Citation Formats

Choi, Woo Seok, and Lee, Ho Nyung. Strain tuning of electronic structure in Bi4Ti3O12-LaCoO3 epitaxial thin films. United States: N. p., 2015. Web. doi:10.1103/PhysRevB.91.174101.
Choi, Woo Seok, & Lee, Ho Nyung. Strain tuning of electronic structure in Bi4Ti3O12-LaCoO3 epitaxial thin films. United States. https://doi.org/10.1103/PhysRevB.91.174101
Choi, Woo Seok, and Lee, Ho Nyung. Fri . "Strain tuning of electronic structure in Bi4Ti3O12-LaCoO3 epitaxial thin films". United States. https://doi.org/10.1103/PhysRevB.91.174101. https://www.osti.gov/servlets/purl/1193186.
@article{osti_1193186,
title = {Strain tuning of electronic structure in Bi4Ti3O12-LaCoO3 epitaxial thin films},
author = {Choi, Woo Seok and Lee, Ho Nyung},
abstractNote = {In this study, we investigated the crystal and electronic structures of ferroelectric Bi4Ti3O12 single-crystalline thin films site-specifically substituted with LaCoO3 (LCO). The epitaxial films were grown by pulsed laser epitaxy on NdGaO3 and SrTiO3 substrates to vary the degree of strain. With increasing the LCO substitution, we observed a systematic increase in the c-axis lattice constant of the Aurivillius phase related with the modification of pseudo-orthorhombic unit cells. These compositional and structural changes resulted in a systematic decrease in the band gap, i.e., the optical transition energy between the oxygen 2p and transition-metal 3d states, based on a spectroscopic ellipsometry study. In particular, the Co 3d state seems to largely overlap with the Ti t2g state, decreasing the band gap. Interestingly, the applied tensile strain facilitates the band-gap narrowing, demonstrating that epitaxial strain is a useful tool to tune the electronic structure of ferroelectric transition-metal oxides.},
doi = {10.1103/PhysRevB.91.174101},
journal = {Physical Review. B, Condensed Matter and Materials Physics},
number = 17,
volume = 91,
place = {United States},
year = {Fri May 08 00:00:00 EDT 2015},
month = {Fri May 08 00:00:00 EDT 2015}
}

Journal Article:

Citation Metrics:
Cited by: 17 works
Citation information provided by
Web of Science

Save / Share:

Works referenced in this record:

Optical band gap of BiFeO3 grown by molecular-beam epitaxy
journal, April 2008

  • Ihlefeld, J. F.; Podraza, N. J.; Liu, Z. K.
  • Applied Physics Letters, Vol. 92, Issue 14
  • DOI: 10.1063/1.2901160

Optimal Doping Level of Bismuth Titanate to Modulate Optical Bandgap for Oxide Optoelectronics
journal, September 2013

  • Bark, Chung Wung
  • Journal of Nanoelectronics and Optoelectronics, Vol. 8, Issue 5
  • DOI: 10.1166/jno.2013.1505

Elastic strain engineering of ferroic oxides
journal, February 2014

  • Schlom, Darrell G.; Chen, Long-Qing; Fennie, Craig J.
  • MRS Bulletin, Vol. 39, Issue 2
  • DOI: 10.1557/mrs.2014.1

CRYSTAL SYMMETRY, OPTICAL PROPERTIES, AND FERROELECTRIC POLARIZATION OF Bi 4 Ti 3 O 12 SINGLE CRYSTALS
journal, January 1967

  • Cummins, S. E.; Cross, L. E.
  • Applied Physics Letters, Vol. 10, Issue 1
  • DOI: 10.1063/1.1754786

Bandgap tuning of multiferroic oxide solar cells
journal, November 2014


Dielectric Properties of Bi 4 Ti 3 O 12 below the Curie Temperature
journal, May 1981

  • Ehara, Shaw; Muramatsu, Kunitaka; Shimazu, Masaji
  • Japanese Journal of Applied Physics, Vol. 20, Issue 5
  • DOI: 10.1143/JJAP.20.877

Structural and optical properties of bandgap engineered bismuth titanate by cobalt doping
journal, November 2013


Wide bandgap tunability in complex transition metal oxides by site-specific substitution
journal, January 2012

  • Choi, Woo Seok; Chisholm, Matthew F.; Singh, David J.
  • Nature Communications, Vol. 3, Issue 1
  • DOI: 10.1038/ncomms1690

Lanthanum-substituted bismuth titanate for use in non-volatile memories
journal, October 1999

  • Park, B. H.; Kang, B. S.; Bu, S. D.
  • Nature, Vol. 401, Issue 6754
  • DOI: 10.1038/44352

Shedding light on nanoscale ferroelectrics
journal, August 2014


Ferroelectric photovoltaics
journal, March 2010


Lasers for the masses: Semiconductor lasers
journal, May 2010


Optical properties of ferroelectric Bi 4 Ti 3 O 12
journal, November 2010


Band gap tuning in ferroelectric Bi 4 Ti 3 O 12 by alloying with La TM O 3 ( TM  = Ti, V, Cr, Mn, Co, Ni, and Al)
journal, March 2012

  • Seok Choi, Woo; Nyung Lee, Ho
  • Applied Physics Letters, Vol. 100, Issue 13
  • DOI: 10.1063/1.3697645

Two-Dimensional Confinement of 3 d 1 Electrons in LaTiO 3 / LaAlO 3 Multilayers
journal, January 2010


Perovskite oxides for visible-light-absorbing ferroelectric and photovoltaic materials
journal, November 2013

  • Grinberg, Ilya; West, D. Vincent; Torres, Maria
  • Nature, Vol. 503, Issue 7477, p. 509-512
  • DOI: 10.1038/nature12622

Switchable Ferroelectric Diode and Photovoltaic Effect in BiFeO 3
journal, February 2009


Optical properties of aluminum-, gallium-, and indium-doped Bi4Ti3O12 thin films
journal, June 2009

  • Jia, Caihong; Chen, Yonghai; Zhang, W. F.
  • Journal of Applied Physics, Vol. 105, Issue 11
  • DOI: 10.1063/1.3138813

Electronic structures of hexagonal R Mn O 3 ( R = Gd , Tb, Dy, and Ho) thin films: Optical spectroscopy and first-principles calculations
journal, January 2008


Growth of uniformly a -axis-oriented ferroelectric lanthanum-substituted bismuth titanate films on silicon substrates
journal, May 2003

  • Lee, Ho Nyung; Hesse, Dietrich; Zakharov, Nikolai
  • Journal of Applied Physics, Vol. 93, Issue 9
  • DOI: 10.1063/1.1565513

Variation of optical gaps in perovskite-type 3 d transition-metal oxides
journal, December 1993


Asymmetric Orbital-Lattice Interactions in Ultrathin Correlated Oxide Films
journal, September 2011


Above-bandgap voltages from ferroelectric photovoltaic devices
journal, January 2010


Temperature dependence of optical band gap in ferroelectric Bi3.25La0.75Ti3O12 films determined by ultraviolet transmittance measurements
journal, November 2007

  • Hu, Z. G.; Li, Y. W.; Yue, F. Y.
  • Applied Physics Letters, Vol. 91, Issue 22
  • DOI: 10.1063/1.2816915

Strain-Induced Spin States in Atomically Ordered Cobaltites
journal, January 2012

  • Choi, Woo Seok; Kwon, Ji-Hwan; Jeen, Hyoungjeen
  • Nano Letters, Vol. 12, Issue 9
  • DOI: 10.1021/nl302562f

Structure refinement of commensurately modulated bismuth titanate, Bi 4 Ti 3 O 12
journal, August 1990

  • Rae, A. D.; Thompson, J. G.; Withers, R. L.
  • Acta Crystallographica Section B Structural Science, Vol. 46, Issue 4
  • DOI: 10.1107/S0108768190003251

Crystal and electronic structures of Bi4−xLaxTi3O12 ferroelectric materials
journal, October 2001

  • Shimakawa, Y.; Kubo, Y.; Tauchi, Y.
  • Applied Physics Letters, Vol. 79, Issue 17
  • DOI: 10.1063/1.1410877

Works referencing / citing this record:

Band gap narrowing and magnetic properties of transition‐metal‐doped Ba 0.85 Ca 0.15 Ti 0.9 Zr 0.1 O 3 lead‐free ceramics
journal, December 2019

  • Zhang, Yuemin; Deng, Hongmei; Si, Shufang
  • Journal of the American Ceramic Society, Vol. 103, Issue 4
  • DOI: 10.1111/jace.16924