Ab initio calculation and synchrotron X-ray spectroscopy investigations of tin oxides near the Sn L 3 absorption edges
| Autor: | O. A. Chuvenkova, O. I. Dubrovskii, S. Yu. Turishchev, S. I. Kurganskii, M.D. Manyakin, E. P. Domashevskaya |
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| Rok vydání: | 2016 |
| Předmět: |
010302 applied physics
X-ray spectroscopy Materials science Tin dioxide Ab initio Analytical chemistry chemistry.chemical_element 02 engineering and technology 021001 nanoscience & nanotechnology Condensed Matter Physics 01 natural sciences Synchrotron XANES Electronic Optical and Magnetic Materials law.invention chemistry.chemical_compound Tetragonal crystal system chemistry law 0103 physical sciences Orthorhombic crystal system 0210 nano-technology Tin |
| Zdroj: | Physics of the Solid State. 58:2379-2384 |
| ISSN: | 1090-6460 1063-7834 |
| DOI: | 10.1134/s1063783416120192 |
| Popis: | The results of theoretical and experimental investigations of the electron-energy structure of the conduction band of tin oxides have been presented. The Sn L3 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 L3 XANES spectra of commercial bulk samples of metallic tin and tin oxides SnO and SnO2 has been carried out. |
| Databáze: | OpenAIRE |
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