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Energetics of a pair of five- and seven-membered rings has been discussed using the empirical force model or the tight binding model:
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In our model, the dislocation core is aligned only along [110] direction. Therefore the strain-relaxed Ge layers in our model are uniaxially compressed along [1 1̄ 0 ] direction.
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In our model, the dislocation core is aligned only along [110] direction. Therefore the strain-relaxed Ge layers in our model are uniaxially compressed along [1 1 ̄ 0] direction.
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Segregation of large impurities in five- and seven-membered rings in Si is discussed in terms of local strains:, 10.1103/PhysRevB.61.1674
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The energy difference can be written as Δγ= γ Ge rl - γ Ge st, where γ Ge rl = μ Ge ′ /A and γ Ge st = μGe /A. The chemical potentials μGe and μ Ge ′ are the energies per atom in biaxially compressed and strain-relaxed Ge bulks, respectively, and A is the area in 2 of the lateral unit cell of the biaxially compressed ideal (001) face.
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The energy difference can be written as Δ γ = γ Ge rl - γ Ge st, where γ Ge rl = μ Ge ′ / A and γ Ge st = μ Ge / A. The chemical potentials μ Ge and μ Ge ′ are the energies per atom in biaxially compressed and strain-relaxed Ge bulks, respectively, and A is the area in 2 of the lateral unit cell of the biaxially compressed ideal (001) face.
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This feature is also observed in pairs of the edge dislocations in Si (Ref.).
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This feature is also observed in pairs of the edge dislocations in Si (Ref.).
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