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|Title:||Dimers and divacancy effects on a reconstructed Si(001) surface||Authors:||Lim, H.S.
|Issue Date:||1993||Citation:||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|
|Appears in Collections:||Staff Publications|
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