Please use this identifier to cite or link to this item: https://doi.org/10.1103/PhysRevB.48.1595
Title: Dimers and divacancy effects on a reconstructed Si(001) surface
Authors: Lim, H.S. 
Low, K.C.
Ong, C.K. 
Issue Date: 1993
Source: Lim, H.S., Low, K.C., Ong, C.K. (1993). Dimers and divacancy effects on a reconstructed Si(001) surface. Physical Review B 48 (3) : 1595-1600. ScholarBank@NUS Repository. https://doi.org/10.1103/PhysRevB.48.1595
Abstract: We have employed a tight-binding molecular-dynamics scheme to study the structural and dynamical behavior of dimers and the divacancy on a Si(001) surface at room temperature. At T=0 K, we conclude that dimers are intrinsically asymmetric but they fluctuate to give on a time average a symmetric appearance at room temperature. However, the presence of a divacancy defect is found to induce and stabilize the formation of buckled dimers in its vicinity. These dimers, in addition, are found to be twisted although, in the defect-free surface, none appears so. A detailed analysis of the structural and dynamical properties of the defect and its influence on the behavior of neighboring dimers is presented and discussed. © 1993 The American Physical Society.
Source Title: Physical Review B
URI: http://scholarbank.nus.edu.sg/handle/10635/96232
ISSN: 01631829
DOI: 10.1103/PhysRevB.48.1595
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