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The relaxation of the H-terminated diamond (C), Si and Ge (1 1 1) surfaces

✍ Scribed by C.K. Ong


Publisher
Elsevier Science
Year
1989
Tongue
English
Weight
207 KB
Volume
70
Category
Article
ISSN
0038-1098

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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