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Hydrogen Diffusion in Silicon - An ab initio Study of Hydrogen Kinetic Properties in Silicon
| Content Provider | Semantic Scholar |
|---|---|
| Author | Bîlteanu, Liviu Posselt, Mathias Crocombette, Jean-Paul |
| Copyright Year | 2011 |
| Abstract | In this paper we present kinetic properties such as migration and decomposition barriers of hydrogen defects in silicon calculated by Density Functional Theory (DFT) based methods. We study the following defects: H atoms (H) and ions (H+, H-), hydrogen molecules (H2) and hydrogen complexes (H2*). Our results show that the dominating migration species are H ions, their charge-independent migration barrier being 0.46 eV in excellent agreement with experimental value [1]. At higher temperatures H2 and H2* decompose with barriers of 1.2 and 1.5 eV respectively, while the migration barrier of H2 is 2.2 eV. Hence, we show that, contrary to what has been experimentally implied [2, 3] previously, in silicon, hydrogen molecules do not participate to the hydrogen transport through diffusion. 1. A. Van Wieringen and N. Warmoltz, Physica 22, 849 (1956). 2. S. Rao, S. K. Dixit, G. Lupke, N. H. Tolk, and L. C. Feldman, Physical Review B 75, 6 (2007). 3. N. Fukata, A. Kasuya, and M. Suezawa, Physica B 308, 1125 (2001). |
| File Format | PDF HTM / HTML |
| Alternate Webpage(s) | https://arxiv.org/pdf/1111.6455v1.pdf |
| Language | English |
| Access Restriction | Open |
| Content Type | Text |
| Resource Type | Article |
