Crystal structure and electronic properties of bulk and thin film brownmillerite oxides
- Authors:
- Publication Date:
- Sponsoring Org.:
- USDOE Office of Science (SC), Basic Energy Sciences (BES)
- OSTI Identifier:
- 1226181
- Grant/Contract Number:
- AC02-06CH11357
- Resource Type:
- Publisher's Accepted Manuscript
- Journal Name:
- Physical Review. B, Condensed Matter and Materials Physics
- Additional Journal Information:
- Journal Name: Physical Review. B, Condensed Matter and Materials Physics Journal Volume: 92 Journal Issue: 17; Journal ID: ISSN 1098-0121
- Publisher:
- American Physical Society
- Country of Publication:
- United States
- Language:
- English
Citation Formats
Young, Joshua, and Rondinelli, James M. Crystal structure and electronic properties of bulk and thin film brownmillerite oxides. United States: N. p., 2015.
Web. doi:10.1103/PhysRevB.92.174111.
Young, Joshua, & Rondinelli, James M. Crystal structure and electronic properties of bulk and thin film brownmillerite oxides. United States. https://doi.org/10.1103/PhysRevB.92.174111
Young, Joshua, and Rondinelli, James M. Tue .
"Crystal structure and electronic properties of bulk and thin film brownmillerite oxides". United States. https://doi.org/10.1103/PhysRevB.92.174111.
@article{osti_1226181,
title = {Crystal structure and electronic properties of bulk and thin film brownmillerite oxides},
author = {Young, Joshua and Rondinelli, James M.},
abstractNote = {},
doi = {10.1103/PhysRevB.92.174111},
journal = {Physical Review. B, Condensed Matter and Materials Physics},
number = 17,
volume = 92,
place = {United States},
year = {Tue Nov 17 00:00:00 EST 2015},
month = {Tue Nov 17 00:00:00 EST 2015}
}
Free Publicly Available Full Text
Publisher's Version of Record
https://doi.org/10.1103/PhysRevB.92.174111
https://doi.org/10.1103/PhysRevB.92.174111
Other availability
Search WorldCat to find libraries that may hold this journal
Cited by: 58 works
Citation information provided by
Web of Science
Web of Science
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:
Strain sensitivity of band gaps of Sn-containing semiconductors
journal, January 2015
- Li, Hong; Castelli, Ivano E.; Thygesen, Kristian S.
- Physical Review B, Vol. 91, Issue 4
Tetrahedral Chain Order in the Sr 2 Fe 2 O 5 Brownmillerite
journal, November 2008
- D’Hondt, Hans; Abakumov, Artem M.; Hadermann, Joke
- Chemistry of Materials, Vol. 20, Issue 22
Incommensurately modulated ordering of tetrahedral chains in Ca 2 Fe 2 O 5 at elevated temperatures
journal, November 2005
- Krüger, Hannes; Kahlenberg, Volker
- Acta Crystallographica Section B Structural Science, Vol. 61, Issue 6
Projector augmented-wave method
journal, December 1994
- Blöchl, P. E.
- Physical Review B, Vol. 50, Issue 24, p. 17953-17979
Ordering of tetrahedral chains in the Sr2MnGaO5 brownmillerite
journal, September 2003
- Abakumov, A. M.; Alekseeva, A. M.; Rozova, M. G.
- Journal of Solid State Chemistry, Vol. 174, Issue 2
Investigations of the electronic structure of d0 transition metal oxides belonging to the perovskite family
journal, October 2003
- Eng, Hank W.; Barnes, Paris W.; Auer, Benjamin M.
- Journal of Solid State Chemistry, Vol. 175, Issue 1
Competition and cooperation between antiferrodistortive and ferroelectric instabilities in the model perovskite SrTiO 3
journal, March 2014
- Aschauer, Ulrich; Spaldin, Nicola A.
- Journal of Physics: Condensed Matter, Vol. 26, Issue 12
Misfit strain accommodation in epitaxial perovskites: Lattice rotations and lattice modulations
journal, February 2011
- Vailionis, A.; Boschker, H.; Siemons, W.
- Physical Review B, Vol. 83, Issue 6
Cation-Induced Band-Gap Tuning in Organohalide Perovskites: Interplay of Spin–Orbit Coupling and Octahedra Tilting
journal, May 2014
- Amat, Anna; Mosconi, Edoardo; Ronca, Enrico
- Nano Letters, Vol. 14, Issue 6
Lattice mismatch accommodation via oxygen vacancy ordering in epitaxial La 0.5 Sr 0.5 CoO 3-δ thin films
journal, July 2013
- Gazquez, J.; Bose, Shameek; Sharma, M.
- APL Materials, Vol. 1, Issue 1
Structure and Properties of Functional Oxide Thin Films: Insights From Electronic-Structure Calculations
journal, July 2011
- Rondinelli, James M.; Spaldin, Nicola A.
- Advanced Materials, Vol. 23, Issue 30
Recent Material Developments in Fast Oxide Ion Conductors
journal, October 1998
- Boivin, J. C.; Mairesse, G.
- Chemistry of Materials, Vol. 10, Issue 10
Fluorine insertion reactions of the brownmillerite materials Sr2Fe2O5, Sr2CoFeO5, and Sr2Co2O5
journal, September 2012
- Sullivan, Eirin; Greaves, Colin
- Materials Research Bulletin, Vol. 47, Issue 9
Recent developments in perovskite-based oxide ion conductors
journal, December 1995
- Kendall, K.
- Solid State Ionics, Vol. 82, Issue 3-4
Valence Band Structure and X-ray Spectra of Oxygen-Deficient Ferrites SrFeO x
journal, March 2010
- Galakhov, V. R.; Kurmaev, E. Z.; Kuepper, K.
- The Journal of Physical Chemistry C, Vol. 114, Issue 11
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
VESTA 3 for three-dimensional visualization of crystal, volumetric and morphology data
journal, October 2011
- Momma, Koichi; Izumi, Fujio
- Journal of Applied Crystallography, Vol. 44, Issue 6
Impact of stress on oxygen vacancy ordering in epitaxial (La0.5Sr0.5)CoO3−∂ thin films
journal, May 2003
- Klenov, Dmitri O.; Donner, Wolfgang; Foran, Brendan
- Applied Physics Letters, Vol. 82, Issue 20
Incommensurate structure of Ca 2 Al 2 O 5 at high temperatures – structure investigation and Raman spectroscopy
journal, July 2008
- Lazic, Biljana; Krüger, Hannes; Kahlenberg, Volker
- Acta Crystallographica Section B Structural Science, Vol. 64, Issue 4
Crystal and Magnetic Structures of Sr2Fe2O5 at Elevated Temperature
journal, February 2001
- Schmidt, M.; Campbell, S. J.
- Journal of Solid State Chemistry, Vol. 156, Issue 2
Ab initiomolecular dynamics for liquid metals
journal, January 1993
- Kresse, G.; Hafner, J.
- Physical Review B, Vol. 47, Issue 1, p. 558-561
High-temperature structural phase transition in studied by in-situ X-ray diffraction and transmission electron microscopy
journal, June 2009
- Krüger, Hannes; Kahlenberg, Volker; Petříček, Václav
- Journal of Solid State Chemistry, Vol. 182, Issue 6
Intralayer Cation Ordering in a Brownmillerite Superstructure: Synthesis, Crystal, and Magnetic Structures of Ca 2 FeCoO 5
journal, November 2010
- Ramezanipour, Farshid; Greedan, John E.; Grosvenor, Andrew P.
- Chemistry of Materials, Vol. 22, Issue 21
Ionic conductivity of brownmillerite-type calcium ferrite under oxidizing conditions
journal, November 2006
- Shaula, A.; Pivak, Y.; Waerenborgh, J.
- Solid State Ionics, Vol. 177, Issue 33-34
ISODISPLACE : a web-based tool for exploring structural distortions
journal, July 2006
- Campbell, Branton J.; Stokes, Harold T.; Tanner, David E.
- Journal of Applied Crystallography, Vol. 39, Issue 4
Structure of epitaxial Ca2Fe2O5 films deposited on different perovskite-type substrates
journal, May 2004
- Rossell, M. D.; Lebedev, O. I.; Van Tendeloo, G.
- Journal of Applied Physics, Vol. 95, Issue 9
Control of octahedral connectivity in perovskite oxide heterostructures: An emerging route to multifunctional materials discovery
journal, March 2012
- Rondinelli, James M.; May, Steven J.; Freeland, John W.
- MRS Bulletin, Vol. 37, Issue 3
Anisotropic oxygen diffusion at low temperature in perovskite-structure iron oxides
journal, February 2010
- Inoue, Satoru; Kawai, Masanori; Ichikawa, Noriya
- Nature Chemistry, Vol. 2, Issue 3, p. 213-217
Electric properties of oxyfluorides Ba2In2O5−0.5x F x with brownmillerite structure
journal, January 2013
- Tarasova, N. A.; Filinkova, Ya. V.; Animitsa, I. E.
- Russian Journal of Electrochemistry, Vol. 49, Issue 1
Single-crystal epitaxial thin films of SrFeO2 with FeO2 “infinite layers”
journal, April 2008
- Inoue, Satoru; Kawai, Masanori; Shimakawa, Yuichi
- Applied Physics Letters, Vol. 92, Issue 16
Floating-zone growth of brownmillerite Sr2Fe2O5 and the observation of a chain-ordered superstructure by single-crystal neutron diffraction
journal, October 2012
- Auckett, Josie E.; Studer, Andrew J.; Sharma, Neeraj
- Solid State Ionics, Vol. 225
Synthesis and crystal structure of the Sr 2 Al 1.07 Mn 0.93 O 5 brownmillerite
journal, January 2007
- Hadermann, Joke; Abakumov, Artem M.; D'Hondt, Hans
- J. Mater. Chem., Vol. 17, Issue 7
Oxygen and fluorine doping in Sr2MnGaO5 brownmillerite
journal, May 2004
- Antipov, E. V.; Abakumov, A. M.; Alekseeva, A. M.
- physica status solidi (a), Vol. 201, Issue 7
The crystal and magnetic structures of Sr2CoFeO5
journal, October 1988
- Battle, P. D.; Gibb, T. C.; Lightfoot, P.
- Journal of Solid State Chemistry, Vol. 76, Issue 2
Efficiency of ab-initio total energy calculations for metals and semiconductors using a plane-wave basis set
journal, July 1996
- Kresse, G.; Furthmüller, J.
- Computational Materials Science, Vol. 6, Issue 1, p. 15-50
Magnetic Structure of Ca 2 Fe 2 O 5
journal, March 1968
- Takeda, Takayoshi; Yamaguchi, Yasuo; Tomiyoshi, Shoichi
- Journal of the Physical Society of Japan, Vol. 24, Issue 3
Special points for Brillouin-zone integrations
journal, June 1976
- Monkhorst, Hendrik J.; Pack, James D.
- Physical Review B, Vol. 13, Issue 12, p. 5188-5192
Topotactic Changes in Thin Films of Brownmillerite SrFeO 2.5 Grown on SrTiO 3 Substrates to Infinite-Layer Structure SrFeO 2
journal, November 2010
- Shimakawa, Yuichi; Inoue, Satoru; Haruta, Mitsutaka
- Crystal Growth & Design, Vol. 10, Issue 11
Metal-insulator transitions
journal, October 1998
- Imada, Masatoshi; Fujimori, Atsushi; Tokura, Yoshinori
- Reviews of Modern Physics, Vol. 70, Issue 4, p. 1039-1263
Die Gesetze der Krystallochemie
journal, May 1926
- Goldschmidt, V. M.
- Die Naturwissenschaften, Vol. 14, Issue 21
Alignment of acentric MoO3F33− anions in a polar material: (Ag3MoO3F3)(Ag3MoO4)Cl
journal, October 2003
- Maggard, Paul A.; Nault, Tiffany S.; Stern, Charlotte L.
- Journal of Solid State Chemistry, Vol. 175, Issue 1
Inhomogeneous Electron Gas
journal, November 1964
- Hohenberg, P.; Kohn, W.
- Physical Review, Vol. 136, Issue 3B, p. B864-B871
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
Structural and electrochemical characterisation of new oxide ion conductors for oxygen generating systems and fuel cells
journal, August 2005
- Rolle, A.; Vannier, R.; Giridharan, N.
- Solid State Ionics, Vol. 176, Issue 25-28
Structural, electronic, and magnetic properties of under epitaxial strain
journal, September 2006
- Zayak, A. T.; Huang, X.; Neaton, J. B.
- Physical Review B, Vol. 74, Issue 9
The classification of tilted octahedra in perovskites
journal, November 1972
- Glazer, A. M.
- Acta Crystallographica Section B Structural Crystallography and Crystal Chemistry, Vol. 28, Issue 11
Synthesis and Structural Characterization of La 1− x A x MnO 2.5 (A = Ba, Sr, Ca) Phases: Mapping the Variants of the Brownmillerite Structure
journal, November 2009
- Parsons, Thomas G.; D’Hondt, Hans; Hadermann, Joke
- Chemistry of Materials, Vol. 21, Issue 22
Quantification of octahedral rotations in strained LaAlO films via synchrotron x-ray diffraction
journal, November 2013
- Johnson-Wilke, R. L.; Marincel, D.; Zhu, S.
- Physical Review B, Vol. 88, Issue 17
Brownmillerite Ca 2 Co 2 O 5 : Synthesis, Stability, and Re-entrant Single Crystal to Single Crystal Structural Transitions
journal, December 2014
- Zhang, Junjie; Zheng, Hong; Malliakas, Christos D.
- Chemistry of Materials, Vol. 26, Issue 24
Steric engineering of metal-halide perovskites with tunable optical band gaps
journal, December 2014
- Filip, Marina R.; Eperon, Giles E.; Snaith, Henry J.
- Nature Communications, Vol. 5, Issue 1
Compositionally induced phase transition in the Ca2MnGa1−xAlxO5 solid solutions: Ordering of tetrahedral chains in brownmillerite structure
journal, July 2005
- Abakumov, Artem M.; Kalyuzhnaya, Anna S.; Rozova, Marina G.
- Solid State Sciences, Vol. 7, Issue 7
Crystal and Magnetic Structures of Sr 2 Fe 2 O 5
journal, May 1969
- Takeda, Takayoshi; Yamaguchi, Yasuo; Watanabe, Hiroshi
- Journal of the Physical Society of Japan, Vol. 26, Issue 5
Combined Experimental and Computational Study of Oxide Ion Conduction Dynamics in Sr 2 Fe 2 O 5 Brownmillerite
journal, July 2013
- Auckett, Josie E.; Studer, Andrew J.; Pellegrini, Eric
- Chemistry of Materials, Vol. 25, Issue 15
Crystal and magnetic structures of the brownmillerite Ca 2 Cr 2 O 5
journal, January 2015
- Arevalo-Lopez, Angel M.; Attfield, J. Paul
- Dalton Transactions, Vol. 44, Issue 23
New Chemical Systems for Solid Oxide Fuel Cells †
journal, February 2010
- Orera, A.; Slater, P. R.
- Chemistry of Materials, Vol. 22, Issue 3