Impurity influence on oxygen diffusion in Al2O3
The oxygen vacancy diffusion in Al2O3 with a corundum structure is investigated by the projector augmented-wave method within the density functional theory. The O-vacancy formation energy in dependence on the Fermi energy and oxygen chemical potential is estimated. The average temperature-dependent...
| Published in: | AIP Conference Proceedings Vol. 2509. P. 020016-1-020016-4 |
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| Main Author: | |
| Other Authors: | , |
| Format: | Article |
| Language: | English |
| Subjects: | |
| Online Access: | http://vital.lib.tsu.ru/vital/access/manager/Repository/koha:000900991 Перейти в каталог НБ ТГУ |
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| 100 | 1 | |a Bakulin, Alexander V. |9 94703 | |
| 245 | 1 | 0 | |a Impurity influence on oxygen diffusion in Al2O3 |c A. V. Bakulin, E. V. Matyskina, S. E. Kulkova |
| 336 | |a Текст | ||
| 337 | |a электронный | ||
| 504 | |a Библиогр.: 15 назв. | ||
| 520 | 3 | |a The oxygen vacancy diffusion in Al2O3 with a corundum structure is investigated by the projector augmented-wave method within the density functional theory. The O-vacancy formation energy in dependence on the Fermi energy and oxygen chemical potential is estimated. The average temperature-dependent diffusion coefficient by the statistical approach is calculated. It is shown that in the case of neutral vacancy under O-poor condition (upper-bound estimation) the diffusion coefficient is by one-two orders higher than experimental values. The influence of impurities on the diffusion properties of oxygen in the oxide is discussed. | |
| 653 | |a коэффициент диффузии | ||
| 653 | |a кислородные вакансии | ||
| 653 | |a оксид алюминия | ||
| 655 | 4 | |a статьи в журналах |9 879358 | |
| 700 | 1 | |a Matyskina, E. V. |9 814283 | |
| 700 | 1 | |a Kulkova, Svetlana E. |9 94704 | |
| 773 | 0 | |t AIP Conference Proceedings |d 2022 |g Vol. 2509. P. 020016-1-020016-4 |x 0094-243X | |
| 852 | 4 | |a RU-ToGU | |
| 856 | 4 | |u http://vital.lib.tsu.ru/vital/access/manager/Repository/koha:000900991 | |
| 856 | |y Перейти в каталог НБ ТГУ |u https://koha.lib.tsu.ru/cgi-bin/koha/opac-detail.pl?biblionumber=900991 | ||
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