Interconversion of intrinsic defects in
Abstract
Photoemission deep in the SrTiO 3(001) band gap is found to be ubiquitous in bulk crystals and epitaxial films for all doping levels. Such features are present even when there is little signal near the Fermi level. This result challenges earlier conclusions about deep features being derived from the metallic band associated with free carriers. Rather, our data point to these states resulting from interstitial oxygen and its interaction with donor electrons.
- Authors:
- Publication Date:
- Research Org.:
- Pacific Northwest National Lab. (PNNL), Richland, WA (United States)
- Sponsoring Org.:
- USDOE
- OSTI Identifier:
- 1485327
- Report Number(s):
- PNNL-SA-131613
Journal ID: ISSN 2469-9950; PRBMDO
- DOE Contract Number:
- AC05-76RL01830
- Resource Type:
- Journal Article
- Journal Name:
- Physical Review B
- Additional Journal Information:
- Journal Volume: 97; Journal Issue: 24; Journal ID: ISSN 2469-9950
- Publisher:
- American Physical Society (APS)
- Country of Publication:
- United States
- Language:
- English
Citation Formats
Chambers, S. A., Du, Y., Zhu, Z., Wang, J., Wahila, M. J., Piper, L. F. J., Prakash, A., Yue, J., Jalan, B., Spurgeon, S. R., Kepaptsoglou, D. M., Ramasse, Q. M., and Sushko, P. V. Interconversion of intrinsic defects in SrTiO3(001). United States: N. p., 2018.
Web. doi:10.1103/PhysRevB.97.245204.
Chambers, S. A., Du, Y., Zhu, Z., Wang, J., Wahila, M. J., Piper, L. F. J., Prakash, A., Yue, J., Jalan, B., Spurgeon, S. R., Kepaptsoglou, D. M., Ramasse, Q. M., & Sushko, P. V. Interconversion of intrinsic defects in SrTiO3(001). United States. doi:10.1103/PhysRevB.97.245204.
Chambers, S. A., Du, Y., Zhu, Z., Wang, J., Wahila, M. J., Piper, L. F. J., Prakash, A., Yue, J., Jalan, B., Spurgeon, S. R., Kepaptsoglou, D. M., Ramasse, Q. M., and Sushko, P. V. Fri .
"Interconversion of intrinsic defects in SrTiO3(001)". United States. doi:10.1103/PhysRevB.97.245204.
@article{osti_1485327,
title = {Interconversion of intrinsic defects in SrTiO3(001)},
author = {Chambers, S. A. and Du, Y. and Zhu, Z. and Wang, J. and Wahila, M. J. and Piper, L. F. J. and Prakash, A. and Yue, J. and Jalan, B. and Spurgeon, S. R. and Kepaptsoglou, D. M. and Ramasse, Q. M. and Sushko, P. V.},
abstractNote = {Photoemission deep in the SrTiO3(001) band gap is found to be ubiquitous in bulk crystals and epitaxial films for all doping levels. Such features are present even when there is little signal near the Fermi level. This result challenges earlier conclusions about deep features being derived from the metallic band associated with free carriers. Rather, our data point to these states resulting from interstitial oxygen and its interaction with donor electrons.},
doi = {10.1103/PhysRevB.97.245204},
journal = {Physical Review B},
issn = {2469-9950},
number = 24,
volume = 97,
place = {United States},
year = {2018},
month = {6}
}
Other availability
Save to My Library
You must Sign In or Create an Account in order to save documents to your library.
Works referenced in this record:
Tailoring the nature and strength of electron–phonon interactions in the SrTiO3(001) 2D electron liquid
journal, April 2016
- Wang, Z.; McKeown Walker, S.; Tamai, A.
- Nature Materials, Vol. 15, Issue 8
Argon Cluster Sputtering Source for ToF-SIMS Depth Profiling of Insulating Materials: High Sputter Rate and Accurate Interfacial Information
journal, May 2015
- Wang, Zhaoying; Liu, Bingwen; Zhao, Evan W.
- Journal of The American Society for Mass Spectrometry, Vol. 26, Issue 8
Projector augmented-wave method
journal, December 1994
- Blöchl, P. E.
- Physical Review B, Vol. 50, Issue 24, p. 17953-17979
Atomic subshell photoionization cross sections and asymmetry parameters: 1 ⩽ Z ⩽ 103
journal, January 1985
- Yeh, J. J.; Lindau, I.
- Atomic Data and Nuclear Data Tables, Vol. 32, Issue 1
Influence of impurities on the high temperature conductivity of SrTiO 3
journal, January 2018
- Bowes, Preston C.; Baker, Jonathon N.; Harris, Joshua S.
- Applied Physics Letters, Vol. 112, Issue 2
Homogeneity and variation of donor doping in Verneuil-grown SrTiO3:Nb single crystals
journal, August 2016
- Rodenbücher, C.; Luysberg, M.; Schwedt, A.
- Scientific Reports, Vol. 6, Issue 1
Electronic transport in doped : Conduction mechanisms and potential applications
journal, April 2010
- Spinelli, A.; Torija, M. A.; Liu, C.
- Physical Review B, Vol. 81, Issue 15
Band-Gap Reduction and Dopant Interaction in Epitaxial La,Cr Co-doped SrTiO 3 Thin Films
journal, December 2014
- Comes, Ryan B.; Sushko, Peter V.; Heald, Steve M.
- Chemistry of Materials, Vol. 26, Issue 24
Deep subgap feature in amorphous indium gallium zinc oxide: Evidence against reduced indium: Deep subgap feature in amorphous indium gallium zinc oxide
journal, January 2015
- Sallis, Shawn; Quackenbush, Nicholas F.; Williams, Deborah S.
- physica status solidi (a), Vol. 212, Issue 7
Electron energy loss in multilayered slabs
journal, September 1995
- Bolton, J. P. R.; Chen, M.
- Ultramicroscopy, Vol. 60, Issue 2
Atomic and electronic surface structures of dopants in oxides: STM and XPS of Nb- and La-doped SrTiO (001)
journal, January 2011
- Marshall, Matthew S. J.; Newell, David T.; Payne, David J.
- Physical Review B, Vol. 83, Issue 3
Electron-energy-loss spectra and the structural stability of nickel oxide: An LSDA+U study
journal, January 1998
- Dudarev, S. L.; Botton, G. A.; Savrasov, S. Y.
- Physical Review B, Vol. 57, Issue 3, p. 1505-1509
Analysis of carbon in SrTiO3 grown by hybrid molecular beam epitaxy
journal, November 2009
- Jalan, Bharat; Cagnon, Joël; Mates, Thomas E.
- Journal of Vacuum Science & Technology A: Vacuum, Surfaces, and Films, Vol. 27, Issue 6
Critical thickness and strain relaxation in molecular beam epitaxy-grown SrTiO 3 films
journal, November 2013
- Wang, Tianqi; Ganguly, Koustav; Marshall, Patrick
- Applied Physics Letters, Vol. 103, Issue 21
Paramagnetic Defect Centers at the MgO Surface. An Alternative Model to Oxygen Vacancies
journal, January 2003
- Ricci, Davide; Di Valentin, Cristiana; Pacchioni, Gianfranco
- Journal of the American Chemical Society, Vol. 125, Issue 3
Surface-interface coupling in an oxide heterostructure: Impact of adsorbates on
journal, November 2015
- Scheiderer, P.; Pfaff, F.; Gabel, J.
- Physical Review B, Vol. 92, Issue 19
Room temperature 2D electron gas at the (001)-SrTiO 3 surface
journal, October 2017
- Gonzalez, Sara; Mathieu, Claire; Copie, Olivier
- Applied Physics Letters, Vol. 111, Issue 18
Doping-induced changes in the electronic structure of : Limitation of the one-electron rigid-band model and the Hubbard model
journal, October 1992
- Fujimori, A.; Hase, I.; Nakamura, M.
- Physical Review B, Vol. 46, Issue 15
Coherent and Incoherent Excitations of Electron-Doped
journal, February 2008
- Ishida, Yukiaki; Eguchi, Ritsuko; Matsunami, Masaharu
- Physical Review Letters, Vol. 100, Issue 5
The effects of core-level broadening in determining band alignment at the epitaxial SrTiO 3 (001)/ p -Ge(001) heterojunction
journal, February 2017
- Chambers, Scott A.; Du, Yingge; Comes, Ryan B.
- Applied Physics Letters, Vol. 110, Issue 8
Structure and correlation effects in semiconducting
journal, June 2010
- Chang, Young Jun; Bostwick, Aaron; Kim, Yong Su
- Physical Review B, Vol. 81, Issue 23
Spectral identification scheme for epitaxially grown single-phase niobium dioxide
journal, March 2016
- Hadamek, Tobias; Posadas, Agham B.; Dhamdhere, Ajit
- Journal of Applied Physics, Vol. 119, Issue 9
In-gap electronic structure of LaAlO -SrTiO heterointerfaces investigated by soft x-ray spectroscopy
journal, December 2011
- Koitzsch, A.; Ocker, J.; Knupfer, M.
- Physical Review B, Vol. 84, Issue 24
Formation of micro-crystals on the (100) surface of SrTiO3 at elevated temperatures
journal, July 2000
- Szot, K.; Speier, W.; Breuer, U.
- Surface Science, Vol. 460, Issue 1-3
Behavior of oxygen vacancies in single-crystal SrTiO : Equilibrium distribution and diffusion kinetics
journal, May 2012
- De Souza, Roger A.; Metlenko, Veronika; Park, Daesung
- Physical Review B, Vol. 85, Issue 17
Bulk electronic structure of SrTiO3: Experiment and theory
journal, December 2001
- van Benthem, K.; Elsässer, C.; French, R. H.
- Journal of Applied Physics, Vol. 90, Issue 12
High-resolution synchrotron-radiation photoemission characterization for atomically-controlled SrTiO3(001) substrate surfaces subjected to various surface treatments
journal, December 2004
- Kobayashi, D.; Kumigashira, H.; Oshima, M.
- Journal of Applied Physics, Vol. 96, Issue 12
Oxygen Diffusion in SrTiO 3 and Related Perovskite Oxides
journal, August 2015
- De Souza, R. A.
- Advanced Functional Materials, Vol. 25, Issue 40
Band offsets at the epitaxial anatase TiO2/n-SrTiO3(001) interface
journal, March 2009
- Chambers, S. A.; Ohsawa, T.; Wang, C. M.
- Surface Science, Vol. 603, Issue 5
Two-dimensional electron gas with universal subbands at the surface of SrTiO3
journal, January 2011
- Santander-Syro, A. F.; Copie, O.; Kondo, T.
- Nature, Vol. 469, Issue 7329, p. 189-193
Mechanisms of oxygen ion diffusion in a nanoporous complex oxide
journal, January 2006
- Sushko, Peter V.; Shluger, Alexander L.; Hayashi, Katsuro
- Physical Review B, Vol. 73, Issue 1
Creation and control of a two-dimensional electron liquid at the bare SrTiO3 surface
journal, January 2011
- Meevasana, W.; King, P. D. C.; He, R. H.
- Nature Materials, Vol. 10, Issue 2
Origin of deep subgap states in amorphous indium gallium zinc oxide: Chemically disordered coordination of oxygen
journal, June 2014
- Sallis, S.; Butler, K. T.; Quackenbush, N. F.
- Applied Physics Letters, Vol. 104, Issue 23
Berechnung der Energieverluste schneller Elektronen in dünnen Schichten mit Retardierung
journal, April 1968
- Kröger, E.
- Zeitschrift für Physik A Hadrons and nuclei, Vol. 216, Issue 2
Research Update: Plentiful magnetic moments in oxygen deficient SrTiO 3
journal, October 2015
- Lopez-Bezanilla, Alejandro; Ganesh, P.; Littlewood, Peter B.
- APL Materials, Vol. 3, Issue 10
Influence of the exchange screening parameter on the performance of screened hybrid functionals
journal, December 2006
- Krukau, Aliaksandr V.; Vydrov, Oleg A.; Izmaylov, Artur F.
- The Journal of Chemical Physics, Vol. 125, Issue 22
Surface electronic structure for various surface preparations of Nb-doped SrTiO 3 (001)
journal, September 2013
- Hatch, Richard C.; Fredrickson, Kurt D.; Choi, Miri
- Journal of Applied Physics, Vol. 114, Issue 10
Tailoring Materials for Mottronics: Excess Oxygen Doping of a Prototypical Mott Insulator
journal, May 2018
- Scheiderer, Philipp; Schmitt, Matthias; Gabel, Judith
- Advanced Materials, Vol. 30, Issue 25
Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set
journal, October 1996
- Kresse, G.; Furthmüller, J.
- Physical Review B, Vol. 54, Issue 16, p. 11169-11186
Predictive Control over Charge Density in the Two-Dimensional Electron Gas at the Polar-Nonpolar Interface
journal, September 2016
- Xu, Peng; Ayino, Yilikal; Cheng, Christopher
- Physical Review Letters, Vol. 117, Issue 10
Chemistry at corners and edges: Generation and adsorption of H atoms on the surface of MgO nanocubes
journal, August 2005
- Sterrer, Martin; Berger, Thomas; Diwald, Oliver
- The Journal of Chemical Physics, Vol. 123, Issue 6
Molecular beam epitaxy of SrTiO3 with a growth window
journal, July 2009
- Jalan, Bharat; Moetakef, Pouya; Stemmer, Susanne
- Applied Physics Letters, Vol. 95, Issue 3
The impact of surface and retardation losses on valence electron energy-loss spectroscopy
journal, January 2008
- Erni, Rolf; Browning, Nigel D.
- Ultramicroscopy, Vol. 108, Issue 2
Ab initio molecular-dynamics simulation of the liquid-metal–amorphous-semiconductor transition in germanium
journal, May 1994
- Kresse, G.; Hafner, J.
- Physical Review B, Vol. 49, Issue 20, p. 14251-14269
Atomistic simulation studies of trapped hole bipolarons in BaTiO 3
journal, January 1995
- Donnerberg, H.; Birkholz, A.
- Journal of Physics: Condensed Matter, Vol. 7, Issue 2
Structure-Property Relation of SrTiO3/LaAlO3 Interfaces
journal, May 2009
- Huijben, Mark; Brinkman, Alexander; Koster, Gertjan
- Advanced Materials, Vol. 21, Issue 17, p. 1665-1677
Restoring the Density-Gradient Expansion for Exchange in Solids and Surfaces
journal, April 2008
- Perdew, John P.; Ruzsinszky, Adrienn; Csonka, Gábor I.
- Physical Review Letters, Vol. 100, Issue 13
On the validity of the Čerenkov limit as a criterion for precise band gap measurements by VEELS
journal, January 2016
- Erni, Rolf
- Ultramicroscopy, Vol. 160
Method for defect stability diagram from ab initio calculations: A case study of SrTiO
journal, November 2012
- Samanta, Amit; E., Weinan; Zhang, S. B.
- Physical Review B, Vol. 86, Issue 19
A high-mobility electron gas at the LaAlO3/SrTiO3 heterointerface
journal, January 2004
- Ohtomo, A.; Hwang, H. Y.
- Nature, Vol. 427, Issue 6973
Direct -Space Mapping of the Electronic Structure in an Oxide-Oxide Interface
journal, June 2013
- Berner, G.; Sing, M.; Fujiwara, H.
- Physical Review Letters, Vol. 110, Issue 24
Defect Chemistry of Donor-Doped and Undoped Strontium Titanate Ceramics between 1000° and 1400°C
journal, October 1997
- Moos, Ralf; Hardtl, Karl Heinz
- Journal of the American Ceramic Society, Vol. 80, Issue 10
Tunable Quasi-Two-Dimensional Electron Gases in Oxide Heterostructures
journal, September 2006
- Thiel, S.
- Science, Vol. 313, Issue 5795, p. 1942-1945
Dynamics of the metal-insulator transition of donor-doped
journal, September 2016
- Meyer, René; Zurhelle, Alexander F.; De Souza, Roger A.
- Physical Review B, Vol. 94, Issue 11
Suppression of vacancy defects in epitaxial La-doped SrTiO 3 films
journal, December 2011
- Keeble, D. J.; Jalan, B.; Ravelli, L.
- Applied Physics Letters, Vol. 99, Issue 23
Computer Simulation Studies of Strontium Titanate
journal, February 1995
- Akhtar, M. Javed; Akhtar, Zeb-Un-Nisa; Jackson, Robert A.
- Journal of the American Ceramic Society, Vol. 78, Issue 2