Structure of dimers at the C(100), Si(10
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Kang, H. Chuan
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Article
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1999
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John Wiley and Sons
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English
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We have performed density functional calculations using cluster models of the C(100), Si(100) and Ge(100) surfaces. We find that the ground-state geometry is strongly dependent upon the constraints imposed during geometry optimization and also can be affected significantly by the cluster size in the