Band alignment at epitaxial BaSnO3/SrTiO3(001) and BaSnO3/LaAlO3(001) heterojunctions

Chambers, Scott A.; Kaspar, Tiffany C.; Prakash, Abhinav; Haugstad, Greg; Jalan, Bharat

doi:10.1063/1.4946762

Title: Band alignment at epitaxial BaSnO₃/SrTiO₃(001) and BaSnO₃/LaAlO₃(001) heterojunctions

Abstract

In this work, we have spectroscopically determined the optical bandgaps and band offsets at epitaxial interfaces of BaSnO₃ with SrTiO₃(001) and LaAlO₃(001). 28 u.c. BaSnO₃ epitaxial films exhibit direct and indirect bandgaps of 3.56 ± 0.05 eV and 2.93 ± 0.05 eV, respectively. The lack of a significant Burstein-Moss shift corroborates the highly insulating, defect-free nature of the BaSnO₃ films. The conduction band minimum is lower in electron energy in 5 u.c. films of BaSnO₃ than in SrTiO₃ and LaAlO₃ by 0.4 ± 0.2 eV and 3.7 ± 0.2 eV, respectively. This result bodes well for the realization of oxide-based, high-mobility, two-dimensional electron systems that can operate at ambient temperature, since electrons generated in the SrTiO₃ by modulation doping, or at the BaSnO₃/LaAlO₃ interface by polarization doping, can be transferred to and at least partially confined in the BaSnO₃ film.

Authors:

^[1]; Kaspar, Tiffany C. ^[1];

^[2]; Haugstad, Greg ^[3];

^[2]

Pacific Northwest National Lab. (PNNL), Richland, WA (United States)
Univ. of Minnesota, Minneapolis, MN (United States)
Characterization Facility, University of Minnesota, Minneapolis, Minnesota 55455, USA

Publication Date:: Tue Apr 12 00:00:00 EDT 2016

Research Org.:: Pacific Northwest National Laboratory (PNNL), Richland, WA (United States). Environmental Molecular Sciences Laboratory (EMSL)

Sponsoring Org.:: National Science Foundation (NSF); USDOE Office of Science (SC), Basic Energy Sciences (BES). Materials Sciences & Engineering Division

OSTI Identifier:: 1700691

Alternate Identifier(s):: OSTI ID: 1247019

Report Number(s):: PNNL-SA-115710
Journal ID: ISSN 0003-6951; TRN: US2204878

Grant/Contract Number:: AC05-76RL01830; 10122

Resource Type:: Accepted Manuscript

Journal Name:: Applied Physics Letters

Additional Journal Information:: Journal Volume: 108; Journal Issue: 15; Journal ID: ISSN 0003-6951

Publisher:: American Institute of Physics (AIP)

Country of Publication:: United States

Language:: English

Subject:: 36 MATERIALS SCIENCE; Epitaxial; Heterojunctions; Heterostructures; Epitaxy; Electronic transport; Optical absorption; Optical properties; Density functional theory; Electronic band structure; Band gap; Crystal lattices; Mechanical stress

Citation Formats


                    Chambers, Scott A., Kaspar, Tiffany C., Prakash, Abhinav, Haugstad, Greg, and Jalan, Bharat. Band alignment at epitaxial BaSnO3/SrTiO3(001) and BaSnO3/LaAlO3(001) heterojunctions.  United States: N. p., 2016. 
Web.  doi:10.1063/1.4946762.

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                    Chambers, Scott A., Kaspar, Tiffany C., Prakash, Abhinav, Haugstad, Greg, & Jalan, Bharat. Band alignment at epitaxial BaSnO3/SrTiO3(001) and BaSnO3/LaAlO3(001) heterojunctions.  United States.  https://doi.org/10.1063/1.4946762

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                    Chambers, Scott A., Kaspar, Tiffany C., Prakash, Abhinav, Haugstad, Greg, and Jalan, Bharat. Tue .  
"Band alignment at epitaxial BaSnO3/SrTiO3(001) and BaSnO3/LaAlO3(001) heterojunctions".  United States.  https://doi.org/10.1063/1.4946762.  https://www.osti.gov/servlets/purl/1700691.

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@article{osti_1700691,

  title        = {Band alignment at epitaxial BaSnO3/SrTiO3(001) and BaSnO3/LaAlO3(001) heterojunctions},

  author       = {Chambers, Scott A. and Kaspar, Tiffany C. and Prakash, Abhinav and Haugstad, Greg and Jalan, Bharat},

  abstractNote = {In this work, we have spectroscopically determined the optical bandgaps and band offsets at epitaxial interfaces of BaSnO3 with SrTiO3(001) and LaAlO3(001). 28 u.c. BaSnO3 epitaxial films exhibit direct and indirect bandgaps of 3.56 ± 0.05 eV and 2.93 ± 0.05 eV, respectively. The lack of a significant Burstein-Moss shift corroborates the highly insulating, defect-free nature of the BaSnO3 films. The conduction band minimum is lower in electron energy in 5 u.c. films of BaSnO3 than in SrTiO3 and LaAlO3 by 0.4 ± 0.2 eV and 3.7 ± 0.2 eV, respectively. This result bodes well for the realization of oxide-based, high-mobility, two-dimensional electron systems that can operate at ambient temperature, since electrons generated in the SrTiO3 by modulation doping, or at the BaSnO3/LaAlO3 interface by polarization doping, can be transferred to and at least partially confined in the BaSnO3 film.},

  doi          = {10.1063/1.4946762},

  journal      = {Applied Physics Letters},

  number       = 15,

  volume       = 108,

  place        = {United States},

  year         = {Tue Apr 12 00:00:00 EDT 2016},

  month        = {Tue Apr 12 00:00:00 EDT 2016}

}

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Title: Band alignment at epitaxial BaSnO3/SrTiO3(001) and BaSnO3/LaAlO3(001) heterojunctions

Abstract

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Title: Band alignment at epitaxial BaSnO₃/SrTiO₃(001) and BaSnO₃/LaAlO₃(001) heterojunctions

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Structure and transport in high pressure oxygen sputter-deposited BaSnO _3−δ
journal, June 2015

Probing the Electronic Structures of Ternary Perovskite and Pyrochlore Oxides Containing Sn ⁴⁺ or Sb ⁵⁺
journal, March 2004

High Mobility in a Stable Transparent Perovskite Oxide
journal, May 2012

Improved electrical mobility in highly epitaxial La:BaSnO ₃ films on SmScO ₃ (110) substrates
journal, August 2014

Tuning optical properties of transparent conducting barium stannate by dimensional reduction
journal, January 2015

BaSnO ₃ as a channel material in perovskite oxide heterostructures
journal, February 2016

Work function reduction by BaO: Growth of crystalline barium oxide on Ag(001) and Ag(111) surfaces
journal, February 2015

Optical Properties and Electronic Structure of Amorphous Germanium
journal, January 1966

High-mobility BaSnO ₃ grown by oxide molecular beam epitaxy
journal, January 2016

Direct Observation of Electrostatically Driven Band Gap Renormalization in a Degenerate Perovskite Transparent Conducting Oxide
journal, January 2016

Strain effects on the band gap and optical properties of perovskite SrSnO ₃ and BaSnO ₃
journal, January 2014

Experimental determination of valence band maxima for SrTiO[sub 3], TiO[sub 2], and SrO and the associated valence band offsets with Si(001)
journal, January 2004

Semiconductor core-level to valence-band maximum binding-energy differences: Precise determination by x-ray photoelectron spectroscopy
journal, August 1983

Physical properties of transparent perovskite oxides (Ba,La)SnO $_{3}$ with high electrical mobility at room temperature
journal, October 2012

Relationships between complex core level spectra and materials properties
journal, August 2010

Assessment of the exact-exchange-only Kohn-Sham method for the calculation of band structures for transition metal oxide and metal halide perovskites
journal, August 2019

On the Importance of the Work Function and Electron Carrier Density of Oxide Electrodes for the Functional Properties of Ferroelectric Capacitors
journal, January 2020

Photoconductivity of CaH ₂ -reduced BaSnO ₃ thin films
journal, January 2017

Design of two-dimensional electron gas systems via polarization discontinuity from large-scale first-principles calculations
journal, January 2018

Origins of $n$ -type doping difficulties in perovskite stannates
journal, February 2018

Frequency- and temperature-dependent dielectric response in hybrid molecular beam epitaxy-grown BaSnO ₃ films
journal, June 2018

Microstructure characterization of BaSnO3 thin films on LaAlO3 and PrScO3 substrates from transmission electron microscopy
journal, July 2018

Conductive Oxide Interfaces for Field Effect Devices
journal, June 2019

Conduction band edge effective mass of La-doped BaSnO ₃
journal, June 2016

Interface energy band alignment at the all-transparent p-n heterojunction based on NiO and BaSnO ₃
journal, April 2018

Wide bandgap BaSnO3 films with room temperature conductivity exceeding 104 S cm−1
journal, May 2017

Phonon-assisted optical absorption in $BaSnO_{3}$ from first principles
journal, March 2018

Wide Bandgap Perovskite Oxides with High Room‐Temperature Electron Mobility
journal, June 2019

Defect-driven localization crossovers in MBE-grown La-doped $SrSn O_{3}$ films
journal, November 2017

Mobility-electron density relation probed via controlled oxygen vacancy doping in epitaxial BaSnO ₃
journal, May 2017

Magnetism and transport in transparent high-mobility ${BaSnO}_{3}$ films doped with La, Pr, Nd, and Gd
journal, December 2019

High-mobility two-dimensional electron gas in SrGeO ₃ - and BaSnO ₃ -based perovskite oxide heterostructures: an ab initio study
journal, January 2016

Melt growth and properties of bulk BaSnO ₃ single crystals
journal, December 2016

Adsorption-controlled growth and the influence of stoichiometry on electronic transport in hybrid molecular beam epitaxy-grown BaSnO ₃ films
journal, January 2017

Structural characterization of the LaInO ₃ /BaSnO ₃ interface via synchrotron scattering
journal, March 2019

Energy Level Alignment and Cation Charge States at the LaFeO ₃ /LaMnO ₃ (001) Heterointerface
journal, April 2017

First-principles analysis of electron transport in ${BaSnO}_{3}$
journal, May 2017

Microstructure characterization of BaSnO3 thin films on LaAlO3 and PrScO3 substrates from transmission electron microscopy
journal, July 2018