THE INTERSTITIAL HYDROGEN-ATOM IN GALLIUM-PHOSPHIDE

被引:7
作者
WONG, KF
KHOO, GS
ONG, CK
机构
[1] Dept. of Phys., Nat. Univ. of Singapore, Kent Ridge
关键词
D O I
10.1088/0953-8984/3/24/007
中图分类号
O469 [凝聚态物理学];
学科分类号
070205 ;
摘要
In the present work, we have calculated the energy profiles of & hydrogen atom located at different positions on the (110)-plane in GaP by employing the CNDO method. The actual global minimum in found when the hydrogen atom lies at a site at a distance 1.44 angstrom 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 angstrom in the PH and PH3 molecules respectively.
引用
收藏
页码:4373 / 4379
页数:7
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