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Автор K F Wong
Автор G S Khoo
Автор C K Ong
Дата выпуска 1991-06-17
dc.description 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.
Формат application.pdf
Издатель Institute of Physics Publishing
Название The interstitial hydrogen atom in gallium phosphide
Тип paper
DOI 10.1088/0953-8984/3/24/007
Electronic ISSN 1361-648X
Print ISSN 0953-8984
Журнал Journal of Physics: Condensed Matter
Том 3
Первая страница 4373
Последняя страница 4379
Аффилиация K F Wong; Dept. of Phys., Nat. Univ. of Singapore, Kent Ridge, Singapore
Аффилиация G S Khoo; Dept. of Phys., Nat. Univ. of Singapore, Kent Ridge, Singapore
Аффилиация C K Ong; Dept. of Phys., Nat. Univ. of Singapore, Kent Ridge, Singapore
Выпуск 24

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