Abstract
The results of theoretical and experimental investigations of the electron-energy structure of the conduction band of tin oxides have been presented. The Sn L 3 X-ray absorption near-edge fine structure (XANES) has been calculated for the first time for single crystals of metallic tin and tin monoxide, as well as for the orthorhombic and tetragonal phases of tin dioxide, using the linearized augmented plane wave (LAPW) method. The fine structure of the XANES spectra has been compared with the specific features of the energy distribution of the local partial densities of states of the tin compounds under investigation. A joint analysis of the results of the simulation and the experimental X-ray synchrotron Sn L 3 XANES spectra of commercial bulk samples of metallic tin and tin oxides SnO and SnO2 has been carried out.
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References
M. Batzill and U. Diebold, Prog. Surf. Sci. 79, 47 (2005).
S. Das and V. Jayaraman, Prog. Mater. Sci. 66, 112 (2014).
E. P. Domashevskaya, O. A. Chuvenkova, S. V. Ryabtsev, Yu. A. Yurakov, V. M. Kashkarov, A. V. Shchukarev, and S. Yu. Turishchev, Thin Solid Films 537, 137 (2013).
O. A. Chuvenkova, E. P. Domashevskaya, S. V. Ryabtsev, Yu. A. Yurakov, A. E. Popov, D. A. Koyuda, D. N. Nesterov, D. E. Spirin, R. Yu. Ovsyannikov, and S. Yu. Turishchev, Phys. Solid State 57 (1), 153 (2015).
G. Bunker, Introduction to XAFS (Cambridge University Press, Cambridge, 2010).
Z. Chen, J. K. L. Lai, and C.-H. Shek, Appl. Phys. Lett. 89, 231902 (2006).
Z. Liu, K. Handa, K. Kaibuchi, Y. Tanaka, and J. Kawai, J. Electron Spectrosc. Relat. Phenom. 135, 155 (2004).
H. Hulme, F. Baxter, R. P. Babu, M. A. Denecke, M. Gass, A. Steuwer, K. Noren, S. Carlson, and M. Preuss, Corros. Sci. 105, 202 (2016).
Y. Kwon, M. G. Kim, Y. Kim, Y. Lee, and J. Cho, Electrochem. Solid State Lett. A 9 (1), 34 (2006).
D. Wang, X. Li, J. Yang, J. Wang, D. Geng, R. Li, M. Cai, T.-K. Sham, and X. Sun, Phys. Chem. Chem. Phys. 15, 3535 (2013).
V. M. Jimenez, A. Caballero, A. Fernandez, J. P. Espinos, M. Ocana, and A. R. Gonzales-Elipe, Solid State Ionics 116, 117 (1999).
Y. X. Chen, L. J. Campbell, and W. L. Zhou, J. Cryst. Growth 270, 505 (2004).
S. O. Kucheyev, T. F. Baumann, P. A. Sterne, Y. M. Wang, T. van Buuren, A. V. Hamza, L. J. Terminello, and T. M. Willey, Phys. Rev. B: Condens. Matter 72 (3), 035404-1 (2005).
M. S. Moreno, R. F. Egerton, J. J. Rehr, and P. A. Midgley, Phys. Rev. B: Condens. Matter 71 (3), 035103 (2005).
K. Schwarz and P. Blaha, Comput. Mater. Sci. 28, 259 (2003).
J. P. Perdew and W. Yue, Phys. Rev. B: Condens. Matter 33 (12), 8800 (1986).
Crystallographic and Crystallochemical Database for Minerals and their Structural Analogues (Institute of Experimental Mineralogy, Russian Academy of Sciences). http://database.iem.ac.ru/mincryst/.
F. E. H. Hassan, S. Moussawi, W. Noun, C. Salameh, and A. V. Postnikov, Comput. Mater. Sci. 72, 86 (2013).
G. Duscher, R. Buczkoa, S. J. Pennycooka, and S. T. Pantelides, Ultramicroscopy 86, 355 (2001).
S. I. Kurganskii, M. D. Manyakin, O. I. Dubrovskii, O. A. Chuvenkova, S. Yu. Turishchev, and E. P. Domashevskaya, Phys. Solid State 56 (9), 1748 (2014).
M. A. Blokhin and I. G. Shveitser, Handbook on X-Ray Spectroscopy (Nauka, Moscow, 1982) [in Russian].
O. A. Chuvenkova, E. P. Domashevskaya, S. V. Ryabtsev, Yu. A. Yurakov, R. Ovsyannikov, Yitao Cui, Jin-Young Son, Hiroshi Oji, and S. Yu. Turishchev, Kondens. Sredy Mezhfaznye Granitsy 16, 513 (2014).
M. D. Manyakin, S. I. Kurganskii, O. I. Dubrovskii, O. A. Chuvenkova, E. P. Domashevskaya, S. V. Ryabtsev, R. Ovsyannikov, and S. Yu. Turishchev, Comput. Mater. Sci. 121, 119 (2016).
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Original Russian Text © M.D. Manyakin, S.I. Kurganskii, O.I. Dubrovskii, O.A. Chuvenkova, E.P. Domashevskaya, S.Yu. Turishchev, 2016, published in Fizika Tverdogo Tela, 2016, Vol. 58, No. 12, pp. 2294–2298.
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Manyakin, M.D., Kurganskii, S.I., Dubrovskii, O.I. et al. Ab initio calculation and synchrotron X-ray spectroscopy investigations of tin oxides near the Sn L 3 absorption edges. Phys. Solid State 58, 2379–2384 (2016). https://doi.org/10.1134/S1063783416120192
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DOI: https://doi.org/10.1134/S1063783416120192