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Capturing Properties of a Threefold Coordinated Silicon Atom in Silicon Nitride: Positive Correlation Energy Modelстатья
Информация о цитировании статьи получена из
Web of Science,
Scopus
Статья опубликована в журнале из списка Web of Science и/или Scopus
Дата последнего поиска статьи во внешних источниках: 18 июля 2013 г.
- Авторы: Gritsenko V.A., Novikov Yu N., Shaposhnikov A.V., Wong H., Zhidomirov G.M.
- Журнал: Physics of the Solid State
- Том: 45
- Номер: 11
- Год издания: 2003
- Издательство: Pleiades Publishing, Ltd
- Местоположение издательства: Road Town, United Kingdom
- Первая страница: 2031
- Последняя страница: 2035
- DOI: 10.1134/1.1626733
- Аннотация: The electronic structure and capturing properties of threefold coordinated silicon atoms (≡Si·) and the Si-Si bond in silicon nitride (Si 3N 4) were studied using the ab initio density functional theory. The results show that the previously proposed negative correlation energy (NCE) model is not applicable to Si 3N 4. The NCE model was proposed for interpreting the absence of the ESR signal for threefold coordinated silicon defects and suggested that an electron can transfer between two silicon defects. We proposed that the absence of this ESR signal is due to the creation of neutral diamagnetic Si-Si defects in Si 3N 4. This model offers the most fundamental theory for explaining the hole localization (memory) effect in silicon nitride. © 2003 MAIK "Nauka/Interperiodica".
- Добавил в систему: Жидомиров Георгий Михайлович