Please use this identifier to cite or link to this item: https://doi.org/10.1088/0953-8984/3/24/007
Title: The interstitial hydrogen atom in gallium phosphide
Authors: Wong, K.F.
Khoo, G.S.
Ong, C.K. 
Issue Date: 1991
Citation: Wong, K.F., Khoo, G.S., Ong, C.K. (1991). The interstitial hydrogen atom in gallium phosphide. Journal of Physics: Condensed Matter 3 (24) : 4373-4379. ScholarBank@NUS Repository. 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.
Source Title: Journal of Physics: Condensed Matter
URI: http://scholarbank.nus.edu.sg/handle/10635/98286
ISSN: 09538984
DOI: 10.1088/0953-8984/3/24/007
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