The interstitial hydrogen atom in gallium phosphide
K F Wong; G S Khoo; C K Ong; K F Wong; Dept. of Phys., Nat. Univ. of Singapore, Kent Ridge, Singapore; G S Khoo; Dept. of Phys., Nat. Univ. of Singapore, Kent Ridge, Singapore; C K Ong; Dept. of Phys., Nat. Univ. of Singapore, Kent Ridge, Singapore
Журнал:
Journal of Physics: Condensed Matter
Дата:
1991-06-17
Аннотация:
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 PH<sub>3</sub> molecules respectively.
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