Electronic structure of NixTiSe2 (0.05 ≤ x ≤ 0.46) compounds with ordered and disordered Ni
| Autor: | Alexey S. Shkvarin, Alexander Titov, E. G. Shkvarina, Yu. M. Zhukov, A. A. Titov, Yu. M. Yarmoshenko, A. I. Merentsov |
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| Rok vydání: | 2017 |
| Předmět: |
Absorption spectroscopy
Chemistry Intercalation (chemistry) General Physics and Astronomy chemistry.chemical_element 02 engineering and technology Electronic structure Crystal structure 021001 nanoscience & nanotechnology 01 natural sciences Condensed Matter::Materials Science Crystallography Nickel Chemical bond Covalent bond 0103 physical sciences Physical and Theoretical Chemistry 010306 general physics 0210 nano-technology Monoclinic crystal system |
| Zdroj: | Physical Chemistry Chemical Physics. 19:4500-4506 |
| ISSN: | 1463-9084 1463-9076 |
| Popis: | The electronic structure of the NixTiSe2 intercalation compounds with disordered and ordered Ni atoms is studied using photoelectron, resonant photoelectron and X-ray absorption spectroscopy, theoretical calculations of the X-ray spectra and density of electronic states. The increase in the covalent component of the chemical bond of Ni and Ti with the nearest neighbour was found with increasing nickel concentration and its ordering. A significant charge transfer from the Ni atoms to the host lattice resulting in the transformation of Ti4+ into Ti3+ occurs, while the symmetry of the crystal lattice is lowered from the hexagonal to the monoclinic one. |
| Databáze: | OpenAIRE |
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