Sushko, PV;
Mukhopadhyay, S;
Stoneham, AM;
Shluger, AL;
(2005)
Oxygen vacancies in amorphous silica: structure and distribution of properties.
Microelectronic Engineering
, 80
292 - 295.
10.1016/j.mee.2005.04.083.
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Abstract
We used an ab initio embedded cluster method to study and compare three charged states of the Si-Si dimer configurations of oxygen vacancies in alpha-quartz and amorphous silica. The Si-Si bond in the neutral vacancy remains largely the same in both crystalline and amorphous SiO2. In alpha-quartz the positively charged dimer E' centre exists only as a metastable configuration, whereas in amorphous silica stable dimer configuration can be formed at favorable precursor sites. Our results demonstrate that negatively charged dimer oxygen vacancies can be formed in alpha-quartz.
| Type: | Article |
|---|---|
| Title: | Oxygen vacancies in amorphous silica: structure and distribution of properties |
| Location: | Univ Leuven, Dept Psychol, Louvain, BELGIUM |
| Open access status: | An open access version is available from UCL Discovery |
| DOI: | 10.1016/j.mee.2005.04.083 |
| Publisher version: | http://dx.doi.org/10.1016/j.mee.2005.04.083 |
| Language: | English |
| Additional information: | Text made available to UCL Discovery by kind permission of Elsevier B.V., 2012 |
| Keywords: | SiO2, oxygen vacancies, ab inito calculations, structure, spectroscopic properties, E' CENTERS |
| UCL classification: | UCL UCL > Provost and Vice Provost Offices > UCL BEAMS UCL > Provost and Vice Provost Offices > UCL BEAMS > Faculty of Maths and Physical Sciences UCL > Provost and Vice Provost Offices > UCL BEAMS > Faculty of Maths and Physical Sciences > Dept of Physics and Astronomy |
| URI: | https://discovery.ucl.ac.uk/id/eprint/81546 |
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