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Jahn-Teller Stabilization of a “Polar” Metal Oxide Surface:Fe3O4(001)
Open accessAbstract
Using ab initio thermodynamics we compile a phase diagram for the surface of Fe3O4(001) as a function of temperature and oxygen pressures. A hitherto ignored polar termination with octahedral iron and oxygen forming a wavelike structure along the [110] direction is identified as the lowest energy configuration over a broad range of oxygen gas-phase conditions. This novel geometry is confirmed via x-ray diffraction analysis. The stabilization of the Fe3O4(001) surface goes together with dramatic changes in the electronic and magnetic properties, e.g., a half metal to metal transition.
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Cited by
Toward the rational design of non-precious transition metal oxides for oxygen electrocatalysis
Hong, W. T., Risch, M., Stoerzinger, K. A., Grimaud, A., Suntivich, J., & Shao-Horn, Y. (2015) · Energy & Environmental Science · doi:10.1039/c4ee03869j · Cited by 2,089
Parkinson, G. S. (2016) · Surface Science Reports · doi:10.1016/j.surfrep.2016.02.001 · Cited by 608
Kumar, P. V., Bernardi, M., & Grossman, J. C. (2013) · ACS Nano · doi:10.1021/nn305507p · Cited by 287
Bulk spin polarization of magnetite from spin-resolved hard x-ray photoelectron spectroscopy
Schmitt, M., Kirilmaz, O., Chernov, S., Babenkov, S., Vasilyev, D., Fedchenko, O., Medjanik, K., Matveyev, Y., Gloskovskii, A., Schlueter, C., et al. (2021) · Physical Review B · doi:10.1103/physrevb.104.045129 · Cited by 16
Metadata
- Authors
- Pentcheva, R., Wendler, F., Meyerheim, H. L., Moritz, W., Jedrecy, N., & Scheffler, M.
- Venue
- Physical Review Letters
- Publisher
- American Physical Society (APS)
- Published
- 2005-04-01
- Volume
- 94
- Issue
- 12
- Pages
- 126101-126101
- ISSN
- 0031-9007 (ISSN-L)
- 1079-7114
- OpenAlex
- W2078232527
- Cited by
- 198
- References
- 0
- FWCI
- 9.12
- Type
- journal article
- Language
- en
- Open access
- hybrid
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- Pentcheva, R., Wendler, F., Meyerheim, H. L., Moritz, W., Jedrecy, N., & Scheffler, M. (2005). Jahn-Teller Stabilization of a “Polar” Metal Oxide Surface:Fe3O4(001). Physical Review Letters. https://doi.org/10.1103/physrevlett.94.126101
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Contains information from the Semantic Scholar Academic Graph Datasets, made available under the ODC Attribution License (ODC-BY 1.0).
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