Zhang, F. X. ; Xi, J. ; Zhang, Y. ; Tong, Yang ; Xue, H. ; Huang, R. ; Trautmann, C. ; Weber, W. J. (2018)
Local structure and defects in ion irradiated KTaO3.
In: Journal of Physics: Condensed Matter, 30 (14)
doi: 10.1088/1361-648X/aab1a2
Article, Bibliographie
Abstract
The modification of the local structure in cubic perovskite KTaO3 irradiated with 3 MeV and 1.1 GeV Au ions is studied by Raman and x-ray absorption spectroscopy, complemented by density functional theory (DFT) calculations. In the case of irradiation with 3 MeV Au ions where displacement cascade processes are dominant, the Ta L-3-edge x-ray absorption measurements suggest that a peak corresponding to the Ta-O bonds in the TaO6 octahedra splits, which is attributed to the formation of TaK antisite defects that are coupled with oxygen vacancies, VO. This finding is consistent with the DFT calculations. Under irradiation with 1.1 GeV ions, the intense ionization and electronic energy deposition lead to a blue shift and an intensity reduction of active Raman bands. In the case of sequential irradiations, extended x-ray absorption fine structure measurements reveal a decrease in concentration of coupled TaK-VO defects under subsequent irradiation with 1.1 GeV Au ions.
| Item Type: | Article |
|---|---|
| Erschienen: | 2018 |
| Creators: | Zhang, F. X. ; Xi, J. ; Zhang, Y. ; Tong, Yang ; Xue, H. ; Huang, R. ; Trautmann, C. ; Weber, W. J. |
| Type of entry: | Bibliographie |
| Title: | Local structure and defects in ion irradiated KTaO3 |
| Language: | English |
| Date: | 11 April 2018 |
| Publisher: | IOP Publishing |
| Journal or Publication Title: | Journal of Physics: Condensed Matter |
| Volume of the journal: | 30 |
| Issue Number: | 14 |
| DOI: | 10.1088/1361-648X/aab1a2 |
| Abstract: | The modification of the local structure in cubic perovskite KTaO3 irradiated with 3 MeV and 1.1 GeV Au ions is studied by Raman and x-ray absorption spectroscopy, complemented by density functional theory (DFT) calculations. In the case of irradiation with 3 MeV Au ions where displacement cascade processes are dominant, the Ta L-3-edge x-ray absorption measurements suggest that a peak corresponding to the Ta-O bonds in the TaO6 octahedra splits, which is attributed to the formation of TaK antisite defects that are coupled with oxygen vacancies, VO. This finding is consistent with the DFT calculations. Under irradiation with 1.1 GeV ions, the intense ionization and electronic energy deposition lead to a blue shift and an intensity reduction of active Raman bands. In the case of sequential irradiations, extended x-ray absorption fine structure measurements reveal a decrease in concentration of coupled TaK-VO defects under subsequent irradiation with 1.1 GeV Au ions. |
| Uncontrolled Keywords: | KTaO3, ion irradiation, Raman, EXAFS, defects, DFT |
| Additional Information: | Artikel-ID: 145401 |
| Divisions: | 11 Department of Materials and Earth Sciences 11 Department of Materials and Earth Sciences > Material Science 11 Department of Materials and Earth Sciences > Material Science > Ion-Beam-Modified Materials |
| Date Deposited: | 07 Mar 2024 07:34 |
| Last Modified: | 07 Mar 2024 07:34 |
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