Mainwood, A;
Larkins, FP;
Stoneham, AM;
(1978)
The structure and motion of the self-interstitial in diamond.
Solid-State Electronics
, 21
(11-12)
1431 - 1433.
10.1016/0038-1101(78)90220-4.
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Abstract
We have made self-consistent semi-empirical molecular orbital calculations for various possible self-interstitial geometries in diamond, both with and without lattice distortion. Total energies are obtained, not merely the sum of one-electron eigenvalues. The results show that the (100) split interstitial has the lowest formation energy, not the cubic, hexagonal or bond-centred forms favour previously. The nature of the interstitial does not support the local heating model of enhanced diffusion in the presence of recombination or ionisation. A Bourgoin-Corbett mechanism involving negative hexagonal and neutral split interstitials is possible, but the apparent stability of the negative hexagonal interstitial may be an artefact of the calculation. We suggest a local excitation model is appropriate in fourfold-coordinated semiconductors.
| Type: | Article |
|---|---|
| Title: | The structure and motion of the self-interstitial in diamond |
| Open access status: | An open access version is available from UCL Discovery |
| DOI: | 10.1016/0038-1101(78)90220-4 |
| Publisher version: | http://dx.doi.org/10.1016/0038-1101(78)90220-4 |
| Language: | English |
| Additional information: | Text made available to UCL Discovery by kind permission of Elsevier B.V., 2012 |
| UCL classification: | UCL UCL > Provost and Vice Provost Offices UCL > Provost and Vice Provost Offices > UCL BEAMS UCL > Provost and Vice Provost Offices > UCL BEAMS > Faculty of Maths and Physical Sciences |
| URI: | https://discovery.ucl.ac.uk/id/eprint/59762 |
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