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Diffusion of Ge below the Si(100) Surface: Theory and Experiment

✍ Scribed by Uberuaga, Blas P.; Leskovar, Michael; Smith, Arthur P.; Jónsson, Hannes; Olmstead, Marjorie


Book ID
121382288
Publisher
The American Physical Society
Year
2000
Tongue
English
Weight
484 KB
Volume
84
Category
Article
ISSN
0031-9007

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✍ Kang, H. Chuan 📂 Article 📅 1999 🏛 John Wiley and Sons 🌐 English ⚖ 152 KB 👁 2 views

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