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

Journal Article · Tue Apr 12 00:00:00 EDT 2016 · Applied Physics Letters

DOI:https://doi.org/10.1063/1.4946762· OSTI ID:1700691

^[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

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.

View Accepted Manuscript (DOE)

View Accepted Manuscript (Publisher)

Cite

Export

Save

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

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

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

OSTI ID:: 1700691

Alternate ID(s):: OSTI ID: 1247019

Report Number(s):: PNNL-SA-115710; TRN: US2204878

Journal Information:: Applied Physics Letters, Vol. 108, Issue 15; ISSN 0003-6951

Publisher:: American Institute of Physics (AIP)Copyright Statement

Country of Publication:: United States

Language:: English

Citation Metrics:

Cited by: 77 works

Citation information provided by
Web of Science

References (21)

Accurate valence band maximum determination for SrTiO3(001) Chambers, S. A.; Droubay, T.; Kaspar, T. C. Surface Science, Vol. 554, Issue 2-3 https://doi.org/10.1016/j.susc.2004.02.021	journal	April 2004
High carrier mobility in transparent Ba _1−x La _x SnO ₃ crystals with a wide band gap Luo, X.; Oh, Y. S.; Sirenko, A. Applied Physics Letters, Vol. 100, Issue 17 https://doi.org/10.1063/1.4709415	journal	April 2012
Hybrid molecular beam epitaxy for the growth of stoichiometric BaSnO ₃ Prakash, Abhinav; Dewey, John; Yun, Hwanhui Journal of Vacuum Science & Technology A: Vacuum, Surfaces, and Films, Vol. 33, Issue 6 https://doi.org/10.1116/1.4933401	journal	November 2015
Gd-doped BaSnO3: A transparent conducting oxide with localized magnetic moments Alaan, Urusa S.; Shafer, Padraic; N'Diaye, Alpha T. Applied Physics Letters, Vol. 108, Issue 4 https://doi.org/10.1063/1.4939686	journal	January 2016
Precise Determination of the Valence-Band Edge in X-Ray Photoemission Spectra: Application to Measurement of Semiconductor Interface Potentials Kraut, E. A.; Grant, R. W.; Waldrop, J. R. Physical Review Letters, Vol. 44, Issue 24 https://doi.org/10.1103/PhysRevLett.44.1620	journal	June 1980
Characterization of the mixed perovskite BaSn1–xSbxO3 by electrolyte electroreflectance, diffuse reflectance, and X-ray photoelectron spectroscopy Larramona, Gerardo; Gutiérrez, Claudio; Pereira, Isabel Journal of the Chemical Society, Faraday Transactions 1: Physical Chemistry in Condensed Phases, Vol. 85, Issue 4 https://doi.org/10.1039/f19898500907	journal	January 1989
Structure and transport in high pressure oxygen sputter-deposited BaSnO _3−δ Ganguly, Koustav; Ambwani, Palak; Xu, Peng APL Materials, Vol. 3, Issue 6 https://doi.org/10.1063/1.4919969	journal	June 2015
Probing the Electronic Structures of Ternary Perovskite and Pyrochlore Oxides Containing Sn ⁴⁺ or Sb ⁵⁺ Mizoguchi, Hiroshi; Eng, Hank W.; Woodward, Patrick M. Inorganic Chemistry, Vol. 43, Issue 5 https://doi.org/10.1021/ic034551c	journal	March 2004
High Mobility in a Stable Transparent Perovskite Oxide Kim, Hyung Joon; Kim, Useong; Kim, Hoon Min Applied Physics Express, Vol. 5, Issue 6 https://doi.org/10.1143/APEX.5.061102	journal	May 2012
Improved electrical mobility in highly epitaxial La:BaSnO ₃ films on SmScO ₃ (110) substrates Wadekar, P. V.; Alaria, J.; O'Sullivan, M. Applied Physics Letters, Vol. 105, Issue 5 https://doi.org/10.1063/1.4891816	journal	August 2014
Tuning optical properties of transparent conducting barium stannate by dimensional reduction Li, Yuwei; Zhang, Lijun; Ma, Yanming APL Materials, Vol. 3, Issue 1 https://doi.org/10.1063/1.4906785	journal	January 2015
BaSnO ₃ as a channel material in perovskite oxide heterostructures Krishnaswamy, Karthik; Bjaalie, Lars; Himmetoglu, Burak Applied Physics Letters, Vol. 108, Issue 8 https://doi.org/10.1063/1.4942366	journal	February 2016
Work function reduction by BaO: Growth of crystalline barium oxide on Ag(001) and Ag(111) surfaces Droubay, T. C.; Kong, L.; Chambers, S. A. Surface Science, Vol. 632 https://doi.org/10.1016/j.susc.2014.07.010	journal	February 2015
Optical Properties and Electronic Structure of Amorphous Germanium Tauc, J.; Grigorovici, R.; Vancu, A. physica status solidi (b), Vol. 15, Issue 2 https://doi.org/10.1002/pssb.19660150224	journal	January 1966
High-mobility BaSnO ₃ grown by oxide molecular beam epitaxy Raghavan, Santosh; Schumann, Timo; Kim, Honggyu APL Materials, Vol. 4, Issue 1 https://doi.org/10.1063/1.4939657	journal	January 2016
Direct Observation of Electrostatically Driven Band Gap Renormalization in a Degenerate Perovskite Transparent Conducting Oxide Lebens-Higgins, Z.; Scanlon, D. O.; Paik, H. Physical Review Letters, Vol. 116, Issue 2 https://doi.org/10.1103/PhysRevLett.116.027602	journal	January 2016
Strain effects on the band gap and optical properties of perovskite SrSnO ₃ and BaSnO ₃ Singh, David J.; Xu, Qiang; Ong, Khuong P. Applied Physics Letters, Vol. 104, Issue 1 https://doi.org/10.1063/1.4861838	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) Chambers, S. A.; Droubay, T.; Kaspar, T. C. Journal of Vacuum Science & Technology B: Microelectronics and Nanometer Structures, Vol. 22, Issue 4 https://doi.org/10.1116/1.1768525	journal	January 2004
Semiconductor core-level to valence-band maximum binding-energy differences: Precise determination by x-ray photoelectron spectroscopy Kraut, E. A.; Grant, R. W.; Waldrop, J. R. Physical Review B, Vol. 28, Issue 4 https://doi.org/10.1103/PhysRevB.28.1965	journal	August 1983
Physical properties of transparent perovskite oxides (Ba,La)SnO $_{3}$ with high electrical mobility at room temperature Kim, Hyung Joon; Kim, Useong; Kim, Tai Hoon Physical Review B, Vol. 86, Issue 16 https://doi.org/10.1103/PhysRevB.86.165205	journal	October 2012
Relationships between complex core level spectra and materials properties Nelin, C. J.; Bagus, P. S.; Ilton, E. S. International Journal of Quantum Chemistry, Vol. 110, Issue 15 https://doi.org/10.1002/qua.22807	journal	August 2010

Cited By (22)

Assessment of the exact-exchange-only Kohn-Sham method for the calculation of band structures for transition metal oxide and metal halide perovskites Trushin, Egor; Fromm, Lukas; Görling, Andreas Physical Review B, Vol. 100, Issue 7 https://doi.org/10.1103/physrevb.100.075205	journal	August 2019
On the Importance of the Work Function and Electron Carrier Density of Oxide Electrodes for the Functional Properties of Ferroelectric Capacitors Wang, Jun; Nguyen, Minh Duc; Gauquelin, Nicolas physica status solidi (RRL) – Rapid Research Letters, Vol. 14, Issue 3 https://doi.org/10.1002/pssr.201900520	journal	January 2020
Photoconductivity of CaH ₂ -reduced BaSnO ₃ thin films Zhao, C. W.; Luo, B. C.; Chen, C. L. RSC Advances, Vol. 7, Issue 32 https://doi.org/10.1039/c7ra01847a	journal	January 2017
Design of two-dimensional electron gas systems via polarization discontinuity from large-scale first-principles calculations Cheng, Jianli; Yang, Kesong Journal of Materials Chemistry C, Vol. 6, Issue 25 https://doi.org/10.1039/c8tc01893f	journal	January 2018
Origins of $n$ -type doping difficulties in perovskite stannates Weston, L.; Bjaalie, L.; Krishnaswamy, K. Physical Review B, Vol. 97, Issue 5 https://doi.org/10.1103/physrevb.97.054112	journal	February 2018
Frequency- and temperature-dependent dielectric response in hybrid molecular beam epitaxy-grown BaSnO ₃ films Nunn, William; Prakash, Abhinav; Bhowmik, Arghya APL Materials, Vol. 6, Issue 6 https://doi.org/10.1063/1.5027567	journal	June 2018
Microstructure characterization of BaSnO3 thin films on LaAlO3 and PrScO3 substrates from transmission electron microscopy Yun, Hwanhui; Ganguly, Koustav; Postiglione, William Scientific Reports, Vol. 8, Issue 1 https://doi.org/10.1038/s41598-018-28520-9	journal	July 2018
Conductive Oxide Interfaces for Field Effect Devices Kornblum, Lior Advanced Materials Interfaces, Vol. 6, Issue 15 https://doi.org/10.1002/admi.201900480	journal	June 2019
Conduction band edge effective mass of La-doped BaSnO ₃ James Allen, S.; Raghavan, Santosh; Schumann, Timo Applied Physics Letters, Vol. 108, Issue 25 https://doi.org/10.1063/1.4954671	journal	June 2016
Interface energy band alignment at the all-transparent p-n heterojunction based on NiO and BaSnO ₃ Zhang, Jiaye; Han, Shaobo; Luo, Weihuang Applied Physics Letters, Vol. 112, Issue 17 https://doi.org/10.1063/1.5029422	journal	April 2018
Wide bandgap BaSnO3 films with room temperature conductivity exceeding 104 S cm−1 Prakash, Abhinav; Xu, Peng; Faghaninia, Alireza Nature Communications, Vol. 8, Issue 1 https://doi.org/10.1038/ncomms15167	journal	May 2017
Phonon-assisted optical absorption in $BaSnO_{3}$ from first principles Monserrat, Bartomeu; Dreyer, Cyrus E.; Rabe, Karin M. Physical Review B, Vol. 97, Issue 10 https://doi.org/10.1103/physrevb.97.104310	journal	March 2018
Wide Bandgap Perovskite Oxides with High Room‐Temperature Electron Mobility Prakash, Abhinav; Jalan, Bharat Advanced Materials Interfaces, Vol. 6, Issue 15 https://doi.org/10.1002/admi.201900479	journal	June 2019
Defect-driven localization crossovers in MBE-grown La-doped $SrSn O_{3}$ films Wang, Tianqi; Thoutam, Laxman Raju; Prakash, Abhinav Physical Review Materials, Vol. 1, Issue 6 https://doi.org/10.1103/physrevmaterials.1.061601	journal	November 2017
Mobility-electron density relation probed via controlled oxygen vacancy doping in epitaxial BaSnO ₃ Ganguly, Koustav; Prakash, Abhinav; Jalan, Bharat APL Materials, Vol. 5, Issue 5 https://doi.org/10.1063/1.4983039	journal	May 2017
Magnetism and transport in transparent high-mobility ${BaSnO}_{3}$ films doped with La, Pr, Nd, and Gd Alaan, Urusa S.; Wong, Franklin J.; Ditto, Jeffrey J. Physical Review Materials, Vol. 3, Issue 12 https://doi.org/10.1103/physrevmaterials.3.124402	journal	December 2019
High-mobility two-dimensional electron gas in SrGeO ₃ - and BaSnO ₃ -based perovskite oxide heterostructures: an ab initio study Wang, Yaqin; Tang, Wu; Cheng, Jianli Physical Chemistry Chemical Physics, Vol. 18, Issue 46 https://doi.org/10.1039/c6cp05572a	journal	January 2016
Melt growth and properties of bulk BaSnO ₃ single crystals Galazka, Z.; Uecker, R.; Irmscher, K. Journal of Physics: Condensed Matter, Vol. 29, Issue 7 https://doi.org/10.1088/1361-648x/aa50e2	journal	December 2016
Adsorption-controlled growth and the influence of stoichiometry on electronic transport in hybrid molecular beam epitaxy-grown BaSnO ₃ films Prakash, Abhinav; Xu, Peng; Wu, Xuewang Journal of Materials Chemistry C, Vol. 5, Issue 23 https://doi.org/10.1039/c7tc00190h	journal	January 2017
Structural characterization of the LaInO ₃ /BaSnO ₃ interface via synchrotron scattering Lau, Claudia; Kim, Youjung; Albright, Stephen APL Materials, Vol. 7, Issue 3 https://doi.org/10.1063/1.5084058	journal	March 2019
Energy Level Alignment and Cation Charge States at the LaFeO ₃ /LaMnO ₃ (001) Heterointerface Smolin, Sergey Y.; Choquette, Amber K.; Wilks, Regan G. Advanced Materials Interfaces, Vol. 4, Issue 14 https://doi.org/10.1002/admi.201700183	journal	April 2017
First-principles analysis of electron transport in ${BaSnO}_{3}$ Krishnaswamy, Karthik; Himmetoglu, Burak; Kang, Youngho Physical Review B, Vol. 95, Issue 20 https://doi.org/10.1103/physrevb.95.205202	journal	May 2017

Similar Records

Band alignment at epitaxial BaSnO{sub 3}/SrTiO{sub 3}(001) and BaSnO{sub 3}/LaAlO{sub 3}(001) heterojunctions

Journal Article · Mon Apr 11 00:00:00 EDT 2016 · Applied Physics Letters · OSTI ID:1700691

Kaspar, Tiffany C.; Prakash, Abhinav; Jalan, Bharat; +1 more

Band alignment of epitaxial SrTiO₃ thin films with (LaAlO₃)_0.3-(Sr₂AlTaO₆)_0.7 (001)

Journal Article · Mon Sep 28 00:00:00 EDT 2015 · Applied Physics Letters · OSTI ID:1700691

Comes, Ryan B.; Xu, Peng; Jalan, Bharat; +1 more

Hybrid molecular beam epitaxy for the growth of stoichiometric BaSnO{sub 3}

Journal Article · Sun Nov 15 00:00:00 EST 2015 · Journal of Vacuum Science and Technology. A, Vacuum, Surfaces and Films · OSTI ID:1700691

Prakash, Abhinav; Dewey, John; Yun, Hwanhui; +3 more

Related Subjects

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

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

Citation Formats

References (21)

Cited By (22)

Similar Records

Related Subjects

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