Antiphase domain boundaries at the Fe3O4(001) surface

Parkinson, Gareth S.; Manz, Thomas A.; Novotný, Zbyněk; Sprunger, Phillip T.; Kurtz, Richard L.; Schmid, Michael; Sholl, David S.; Diebold, Ulrike

doi:10.1103/PhysRevB.85.195450

Title: Antiphase domain boundaries at the Fe₃O₄(001) surface

Journal Article · Thu May 24 00:00:00 UTC 2012 · Physical Review. B, Condensed Matter and Materials Physics

DOI: https://doi.org/10.1103/PhysRevB.85.195450 · OSTI ID:1104145

Parkinson, Gareth S.; Manz, Thomas A.; Novotný, Zbyněk; Sprunger, Phillip T.; Kurtz, Richard L.; Schmid, Michael; Sholl, David S.; Diebold, Ulrike

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Sponsoring Organization:: USDOE

OSTI ID:: 1104145

Journal Information:: Physical Review. B, Condensed Matter and Materials Physics, Journal Name: Physical Review. B, Condensed Matter and Materials Physics Journal Issue: 19 Vol. 85; ISSN 1098-0121; ISSN PRBMDO

Publisher:: American Physical SocietyCopyright Statement

Country of Publication:: United States

Language:: English

References (42)

The Iron Oxides Cornell, R. M.; Schwertmann, U. https://doi.org/10.1002/3527602097	book	July 2003
The Iron Oxides Strike Back: From Biomedical Applications to Energy Storage Devices and Photoelectrochemical Water Splitting Tartaj, Pedro; Morales, Maria P.; Gonzalez-Carreño, Teresita Advanced Materials, Vol. 23, Issue 44 https://doi.org/10.1002/adma.201101368	journal	July 2011
Surface structure of MBE-grown Fe3O4(001) by X-ray photoelectron diffraction and scanning tunneling microscopy Chambers, S. A.; Thevuthasan, S.; Joyce, S. A. Surface Science, Vol. 450, Issue 1-2 https://doi.org/10.1016/S0039-6028(00)00230-2	journal	April 2000
Surface reconstruction of Fe3O4(001) Stanka, B.; Hebenstreit, W.; Diebold, U. Surface Science, Vol. 448, Issue 1 https://doi.org/10.1016/S0039-6028(99)01182-6	journal	March 2000
Surface reconstruction of FeO(100) Mijiritskii, A. V.; Langelaar, M. H.; Boerma, D. O. Journal of Magnetism and Magnetic Materials, Vol. 211, Issue 1-3 https://doi.org/10.1016/S0304-8853(99)00747-7	journal	March 2000
An atomic scale STM study of the Fe3O4(001) surface Ceballos, S. F.; Mariotto, G.; Jordan, K. Surface Science, Vol. 548, Issue 1-3 https://doi.org/10.1016/j.susc.2003.10.041	journal	January 2004
A combined DFT/LEED-approach for complex oxide surface structure determination: Fe3O4(001) Pentcheva, R.; Moritz, W.; Rundgren, J. Surface Science, Vol. 602, Issue 7 https://doi.org/10.1016/j.susc.2008.01.006	journal	April 2008
A metastable Fe(A) termination at the Fe3O4(001) surface Parkinson, Gareth S.; Novotný, Zbyněk; Jacobson, Peter Surface Science, Vol. 605, Issue 15-16 https://doi.org/10.1016/j.susc.2011.05.018	journal	August 2011
Chemically Meaningful Atomic Charges That Reproduce the Electrostatic Potential in Periodic and Nonperiodic Materials Manz, Thomas A.; Sholl, David S. Journal of Chemical Theory and Computation, Vol. 6, Issue 8 https://doi.org/10.1021/ct100125x	journal	July 2010
Methods for Computing Accurate Atomic Spin Moments for Collinear and Noncollinear Magnetism in Periodic and Nonperiodic Materials Manz, Thomas A.; Sholl, David S. Journal of Chemical Theory and Computation, Vol. 7, Issue 12 https://doi.org/10.1021/ct200539n	journal	October 2011
Bonded and nonbonded charge concentrations and their relation to molecular geometry and reactivity Bader, R. F. W.; MacDougall, P. J.; Lau, C. D. H. Journal of the American Chemical Society, Vol. 106, Issue 6 https://doi.org/10.1021/ja00318a009	journal	March 1984
Room Temperature Water Splitting at the Surface of Magnetite Parkinson, Gareth S.; Novotný, Zbyněk; Jacobson, Peter Journal of the American Chemical Society, Vol. 133, Issue 32 https://doi.org/10.1021/ja203432e	journal	August 2011
Coverage-Dependent Adsorption Mode of Water on Fe ₃ O ₄ (001): Insights from First Principles Calculations Mulakaluri, Narasimham; Pentcheva, Rossitza; Scheffler, Matthias The Journal of Physical Chemistry C, Vol. 114, Issue 25 https://doi.org/10.1021/jp100344n	journal	June 2010
Electronic Conduction of Magnetite (Fe3O4) and its Transition Point at Low Temperatures Verwey, E. J. W. Nature, Vol. 144, Issue 3642 https://doi.org/10.1038/144327b0	journal	August 1939
Charge-ordering in oxides Coey, Michael Nature, Vol. 430, Issue 6996 https://doi.org/10.1038/430155a	journal	July 2004
Charge order and three-site distortions in the Verwey structure of magnetite Senn, Mark S.; Wright, Jon P.; Attfield, J. Paul Nature, Vol. 481, Issue 7380 https://doi.org/10.1038/nature10704	journal	December 2011
Many-electron self-interaction error in approximate density functionals Mori-Sánchez, Paula; Cohen, Aron J.; Yang, Weitao The Journal of Chemical Physics, Vol. 125, Issue 20 https://doi.org/10.1063/1.2403848	journal	November 2006
Structural manifestation of the delocalization error of density functional approximations: C4N+2 rings and C20 bowl, cage, and ring isomers Heaton-Burgess, Tim; Yang, Weitao The Journal of Chemical Physics, Vol. 132, Issue 23 https://doi.org/10.1063/1.3445266	journal	June 2010
Anti-phase domains and magnetism in epitaxial magnetite layers Hibma, T.; Voogt, F. C.; Niesen, L. Journal of Applied Physics, Vol. 85, Issue 8 https://doi.org/10.1063/1.369857	journal	April 1999
Spin-transfer due to covalency for the tetrahedral-site Fe ³⁺ ions in Fe ₃ O ₄ Rakhecha, V. C.; Murthy, N. S. Journal of Physics C: Solid State Physics, Vol. 11, Issue 21 https://doi.org/10.1088/0022-3719/11/21/015	journal	November 1978
The Verwey transition - a topical review Walz, Friedrich Journal of Physics: Condensed Matter, Vol. 14, Issue 12 https://doi.org/10.1088/0953-8984/14/12/203	journal	March 2002
Is the Verwey transition in Fe ₃ O ₄ magnetite driven by a Peierls distortion? Shchennikov, Vladimir V.; Ovsyannikov, Sergey V. Journal of Physics: Condensed Matter, Vol. 21, Issue 27 https://doi.org/10.1088/0953-8984/21/27/271001	journal	June 2009
A grid-based Bader analysis algorithm without lattice bias Tang, W.; Sanville, E.; Henkelman, G. Journal of Physics: Condensed Matter, Vol. 21, Issue 8 https://doi.org/10.1088/0953-8984/21/8/084204	journal	January 2009
Electron-electron interaction and localization in d and f transition metals van der Marel, D.; Sawatzky, G. A. Physical Review B, Vol. 37, Issue 18 https://doi.org/10.1103/PhysRevB.37.10674	journal	June 1988
Electron-energy-loss spectra and the structural stability of nickel oxide: An LSDA+U study Dudarev, S. L.; Botton, G. A.; Savrasov, S. Y. Physical Review B, Vol. 57, Issue 3, p. 1505-1509 https://doi.org/10.1103/PhysRevB.57.1505	journal	January 1998
Superparamagnetic behavior of structural domains in epitaxial ultrathin magnetite films Voogt, F. C.; Palstra, T. T. M.; Niesen, L. Physical Review B, Vol. 57, Issue 14 https://doi.org/10.1103/PhysRevB.57.R8107	journal	April 1998
Scanning tunneling spectroscopy study of the electronic structure of Fe 3 O 4 surfaces Jordan, K.; Cazacu, A.; Manai, G. Physical Review B, Vol. 74, Issue 8 https://doi.org/10.1103/PhysRevB.74.085416	journal	August 2006
Nonequivalence of the octahedral sites of cubic Fe 3 O 4 magnetite Wenzel, Mark J.; Steinle-Neumann, Gerd Physical Review B, Vol. 75, Issue 21 https://doi.org/10.1103/PhysRevB.75.214430	journal	June 2007
Origin of the Verwey transition in magnetite: Group theory, electronic structure, and lattice dynamics study Piekarz, Przemysław; Parlinski, Krzysztof; Oleś, Andrzej M. Physical Review B, Vol. 76, Issue 16 https://doi.org/10.1103/PhysRevB.76.165124	journal	October 2007
Ferroelectricity in multiferroic magnetite Fe 3 O 4 driven by noncentrosymmetric Fe 2 + / Fe 3 + charge-ordering: First-principles study Yamauchi, Kunihiko; Fukushima, Tetsuya; Picozzi, Silvia Physical Review B, Vol. 79, Issue 21 https://doi.org/10.1103/PhysRevB.79.212404	journal	June 2009
Semiconductor–half metal transition at the Fe 3 O 4 ( 001 ) surface upon hydrogen adsorption Parkinson, Gareth S.; Mulakaluri, Narasimham; Losovyj, Yaroslav Physical Review B, Vol. 82, Issue 12 https://doi.org/10.1103/PhysRevB.82.125413	journal	September 2010
Structural transformation in magnetite below the Verwey transition Blasco, Javier; García, Joaquín; Subías, Gloria Physical Review B, Vol. 83, Issue 10 https://doi.org/10.1103/PhysRevB.83.104105	journal	March 2011
Positive antiphase boundary domain wall magnetoresistance in Fe 3 O 4 (110) heteroepitaxial films Sofin, R. G. S.; Arora, S. K.; Shvets, I. V. Physical Review B, Vol. 83, Issue 13 https://doi.org/10.1103/PhysRevB.83.134436	journal	April 2011
Partial Dissociation of Water on Fe 3 O 4 ( 001 ) : Adsorbate Induced Charge and Orbital Order Mulakaluri, Narasimham; Pentcheva, Rossitza; Wieland, Maria Physical Review Letters, Vol. 103, Issue 17 https://doi.org/10.1103/PhysRevLett.103.176102	journal	October 2009
Theory and Application for the Scanning Tunneling Microscope Tersoff, J.; Hamann, D. R. Physical Review Letters, Vol. 50, Issue 25 https://doi.org/10.1103/PhysRevLett.50.1998	journal	June 1983
Origin of the Anomalous Magnetic Behavior in Single Crystal Fe 3 O 4 Films Margulies, D. T.; Parker, F. T.; Rudee, M. L. Physical Review Letters, Vol. 79, Issue 25 https://doi.org/10.1103/PhysRevLett.79.5162	journal	December 1997
Jahn-Teller Stabilization of a “Polar” Metal Oxide Surface: Fe 3 O 4 ( 001 ) Pentcheva, R.; Wendler, F.; Meyerheim, H. L. Physical Review Letters, Vol. 94, Issue 12 https://doi.org/10.1103/PhysRevLett.94.126101	journal	April 2005
Mechanism of the Verwey Transition in Magnetite Piekarz, Przemysław; Parlinski, Krzysztof; Oleś, Andrzej M. Physical Review Letters, Vol. 97, Issue 15 https://doi.org/10.1103/PhysRevLett.97.156402	journal	October 2006
Surface Verwey Transition in Magnetite Łodziana, Zbigniew Physical Review Letters, Vol. 99, Issue 20 https://doi.org/10.1103/PhysRevLett.99.206402	journal	November 2007
Topographic and Magnetic-Sensitive Scanning Tunneling Microscope Study of Magnetite Wiesendanger, R.; Shvets, I. V.; Burgler, D. Science, Vol. 255, Issue 5044 https://doi.org/10.1126/science.255.5044.583	journal	January 1992
Atomic properties and the reactivity of carbenes MacDougall, Preston J.; Bader, Richard F. W. Canadian Journal of Chemistry, Vol. 64, Issue 8 https://doi.org/10.1139/v86-246	journal	August 1986
Ab initio Investigations of Fe ²⁺ /Fe ³⁺ Bond Dimerization and Ferroelectricity Induced by Intermediate Site/Bond-Centered Charge Ordering in Magnetite Fukushima, Tetsuya; Yamauchi, Kunihiko; Picozzi, Silvia Journal of the Physical Society of Japan, Vol. 80, Issue 1 https://doi.org/10.1143/JPSJ.80.014709	journal	January 2011

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