MOLECULAR DYNAMICS SIMULATION FOR Si(00l) SURFACE | Zendy

Jia Zheng-Ming | Zendy; Yang Genqing | Zendy; CHENG ZHAO-NIAN | Zendy; Xianghuai Liu | Zendy; Zou Shichang | Zendy

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MOLECULAR DYNAMICS SIMULATION FOR Si(00l) SURFACE

Author(s) -

Jia Zheng-Ming,

Yang Genqing,

CHENG ZHAO-NIAN,

Xianghuai Liu,

Zou Shichang

Publication year - 1994

Publication title -

acta physica sinica

Language(s) - English

Resource type - Journals

SCImago Journal Rank - 0.199

H-Index - 47

ISSN - 1000-3290

DOI - 10.7498/aps.43.609

Subject(s) - molecular dynamics , materials science , surface (topology) , relaxation (psychology) , lattice (music) , plane (geometry) , chemical physics , molecular physics , many body theory , condensed matter physics , physics , quantum mechanics , geometry , psychology , social psychology , mathematics , acoustics

Molecular dynamics simulations were performed to obtain the two-dimensional pair correlation functions of Si(001) surface and deeper layers. The atoms interact via a potential developed by Stillinger and Weber, which includes both two-body and three-body contributions. The results show that the atoms in deeper layers still remain at their(001) atomic plane lattice sites, while the atoms in surface layer are rearranged, and a large part of them form bonding and the bond length is 0.2, 40nm. The relaxation problems have also been discussed.

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