The interstitial hydrogen atom in gallium phosphide
- 17 June 1991
- journal article
- Published by IOP Publishing in Journal of Physics: Condensed Matter
- Vol. 3 (24) , 4373-4379
- https://doi.org/10.1088/0953-8984/3/24/007
Abstract
The authors have calculated the energy profiles of a hydrogen atom located at different positions on the (110)-plane in GaP by employing the CNDO method. The actual global minimum is found when the hydrogen atom lies at a site at a distance 1.44 AA away from the nearest P atom along the (001)-axis on the (110)- plane. This distance is very close to the P-H bondlengths of 1.43 and 1.42 AA in the PH and PH3 molecules respectively.Keywords
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