Density functional simulations of noble-gas impurities in diamond
- Lookup NU author(s)
- Dr Jonathan Goss
- Richard Eyre
- Dr Patrick Briddon
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| Author(s) | | Goss JP, Eyre RJ, Briddon PR, Mainwood A |
| Publication type | | Article |
| Journal | | Physical Review B |
| Year | | 2009 |
| Volume | | 80 |
| Issue | | 8 |
| Pages | | |
| ISSN (print) | | 1098-0121 |
| ISSN (electronic) | | 1550-235X |
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| Full text for this publication is not currently held within this repository. Alternative links are provided below where available. |
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| Noble-gas species are important impurities in the geological analysis of natural diamond and are also used in ion implantation on the basis of chemical inertness. We present the results of density functional simulations of noble-gas atoms in diamond. We show that interstitial species are relatively mobile under geological conditions but require annealing above ~700 K for laboratory-based experiments. In addition, with the exception of interstitial helium and neon, the noble-gas atoms are able to react chemically with the diamond due to the compact diamond lattice. This is of particular significance in terms of ion implanted material where noble-gas species trapped in lattice vacancies are electrically active and stable to high temperatures. |
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| Publisher | | American Physical Society |
| URL | | http://dx.doi.org/10.1103/PhysRevB.80.085204 |
| DOI | | 10.1103/PhysRevB.80.085204 |
| Notes | | Article no. 085204
7 pages |
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