Diffusion of Si adatoms on H-terminated Si(001) surfaces

被引:0
作者
Ohno, T [1 ]
Nara, J [1 ]
Sasaki, T [1 ]
机构
[1] Natl Res Inst Met, Tsukuba, Ibaraki 305, Japan
来源
MICROSCOPIC SIMULATION OF INTERFACIAL PHENOMENA IN SOLIDS AND LIQUIDS | 1998年 / 492卷
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中图分类号
O64 [物理化学(理论化学)、化学物理学];
学科分类号
070304 ; 081704 ;
摘要
We have investigated adsorption and diffusion processes of a Si atom on hydrogen-terminated Si(001)-(2x1) surfaces using first-principles total-energy calculations. The Si adatom segregates H atoms from surface Si dimer atoms on the monohydride terminated Si(001) surface. The migration of the Si adatom is assisted by the mobility of H atoms, that is, the Si adatom migrates on the surface by repeating release and capture of H atoms. The effects of a single H-terminated Si dimer on the Si migration are also examined. Calculated results are in good agreements with the variation in morphology of Si homoepitaxial films induced by hydrogen termination.
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页码:275 / 280
页数:6
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