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Title: The nature of the hydrogen-boron complex of crystalline Si
Authors: Ong, C.K. 
Khoo, G.S.
Issue Date: 1991
Citation: Ong, C.K., Khoo, G.S. (1991). The nature of the hydrogen-boron complex of crystalline Si. Journal of Physics: Condensed Matter 3 (6) : 675-680. ScholarBank@NUS Repository.
Abstract: The authors have used the complete neglect of differential overlap (CNDO) method to investigate the motion of the H atom within the Si lattice in the presence of a B impurity. Their results seem to indicate that the H atom moves in a low-energy channel in the vicinity of the B atom located at a substitutional site. However, the most stable configuration of this H-B system results when the H atom lodges itself near the bond-centred site of a Si-B bond (BM site). The B atom is displaced towards the plane of the other three neighbouring Si atoms and this displacement is calculated to be 0.28 AA, which agrees very well with the experimental value of 0.28+or-0.03 AA.
Source Title: Journal of Physics: Condensed Matter
ISSN: 09538984
DOI: 10.1088/0953-8984/3/6/005
Appears in Collections:Staff Publications

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