Abstract
The coherent potential method has been applied for the investigation of Co substitutional doping influence on the spectral and magnetic properties of TiO2 rutile (100) surface. Both stoichiometric and nonstoichiometric oxygen compositions have been considered. For the stoichiometric case, the energy spectrum corresponds to half-metallic ferromagnet. The Co ions are in 2 + formal oxidation state with a spin magnetic moment of 0.8 μB. The presence of oxygen vacancies makes the surface insulating and increases the Co spin magnetic moment value.
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Chambers, S.A., Thevuthasan, S., Farrow, R.F.C., Marks, R.F., Thiele, J.U., Folks, L., Samant, M.G., Kellock, A.J., Ruzycki, N., Ederer, D.L., Diebold, U.: Epitaxial growth and properties of ferromagnetic Co-doped TiO2 anatase. Appl. Phys. Lett. 79, 3467–3469 (2001)
Matsumoto, Y., Murakami, M., Shono, T., Hasegawa, T., Fukumura, T., Kawasaki, M., Ahmet, P., Chikyow, T., Koshihara, S., Koinuma, H.: Room-temperature ferromagnetism in transparent transition metal-doped titanium dioxide. Science 291, 854–856 (2001)
Matsumoto, Y., Takahashi, R., Murakami, M., Koida, T., Fan, X., Hasegawa, T., Fukumura, T., Kawasaki, M., Koshihara, S., Koinuma, H.: Ferromagnetism in Co-doped TiO2 rutile thin films grown by laser molecular beam epitaxy. Jpn. J. Appl. Phys. 40, L1204–L1206 (2001)
Santara, B., Pal, B., Giri, P.: Signature of strong ferromagnetism and optical properties of Co doped TiO2 nanoparticles. J. Appl. Phys. 110, 114322 (2011)
Yano, S., Kurokawa, A., Takeuchi, H., Yanoh, T., Onuma, K., Kondo, T., Miike, K., Miyasaka, T., Ichiyanagi, Y.: Synthesis and study of magnetic properties of Co-doped anatase TiO2 nanoparticles. J. Phys.: Conf. Ser. 433, 012019 (2013)
Salazar Cuaila, J.L., Alayo, W., Avellaneda, C.O.: Ferromagnetism in spin-coated cobalt-doped TiO2 thin films and the role of crystalline phases. J. Magn. Magn. Mater. 442, 212–217 (2017)
Soven, P.: Coherent-potential model of substitutional disordered alloys. Phys. Rev. 156, 809–813 (1967)
Korotin, M.A., Skorikov, N.A., Zainullina, V.M., Kurmaev, E.Z., Lukoyanov, A.V., Anisimov, V.I.: Electronic structure of nonstoichiometric compounds in the coherent potential approximation. JETP Lett. 94, 806–810 (2012)
Anisimov, V.I., Zaanen, J., Andersen, O.K.: Band theory and Mott insulators: Hubbard U instead of Stoner I. Phys. Rev. B 44, 943–954 (1991)
Korotin, M.A., Skorikov, N.A., Anokhin, A.O.: Electronic structure and magnetic properties of two-dimensional nonstoichiometric rutile. Physa. B 526, 14–20 (2017)
Momma, K., Izumi, F.: VESTA 3 for three-dimensional visualization of crystal, volumetric and morphology data. J. Appl. Crystallogr. 44, 1272–1276 (2011)
Cabailh, G., Torrelles, X., Lindsay, R., Bikondoa, O., Joumard, I., Zegenhagen, J., Thornton, G.: Geometric structure of TiO2 (110) (1×1): achieving experimental consensus. Phys. Rev. B 75, 241403(R) (2007)
Towle, S.N., Brown, G.E., Parks, G.A.: Sorption of Co(II) on metal oxide surfaces I. Identification of specific binding sites of Co(II) on (110) and (001) surfaces of TiO2 (rutile) by grazing-incidence XAFS spectroscopy. J. Colloid and Interface Science 217, 299–311 (1999)
Mesilov, V.V., Galakhov, V.R., Udintseva, M.S., Yermakov, A.Y., Uimin, M.A., Zakharova, G.S., Smirnov, D.A., Gubkin, A.F., Sherstobitova, E.A.: Soft X-ray absorption spectroscopy of titanium dioxide nanopowders with cobalt impurities. J. Exp. Theor. Phys. 124, 908–913 (2017)
Mesilov, V.V., Galakhov, V.R., Gubkin, A.F., Sherstobitova, E.A., Zakharova, G.S., Uimin, M.A., Yermakov, A.Y., Kvashnina, K.O., Smirnov, D.A.: X-ray diffraction and X-ray spectroscopy studies of cobalt-doped anatase TiO2:Co nanopowders. J. Phys. Chem. C 121, 24235–24244 (2017)
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This study was supported by Grant No. 16-12-10004 of the Russian Scientific Foundation.
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Skorikov, N.A., Korotin, M.A. Electronic Structure and Magnetic Properties of Cobalt-Doped Nonstoichiometric Rutile Thin Films. J Supercond Nov Magn 32, 1371–1375 (2019). https://doi.org/10.1007/s10948-018-4843-0
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DOI: https://doi.org/10.1007/s10948-018-4843-0