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Table 1 Structural characteristics of the embedded crystalline (upper set) and amorphous (lower set) NCs: number of NC atoms, number of core atoms (not bonded with oxygens), symmetry (cutoff sphere centered or not on one silicon), number of oxygens bonded to the NC, number of bridge-bonds (see the text), average diameter d, supercell volume V s

From: Silicon and Germanium Nanostructures for Photovoltaic Applications: Ab-Initio Results

Structure NC atoms NC-core atoms Si-centered Interface-O Bridge-bonds d (nm) V s (nm3)
Si10/SiO2 10 0 No 16 0 0.6 2.65
Si17/SiO2 17 5 Yes 36 0 0.8 2.61
Si32/SiO2 32 12 No 56 0 1.0 8.72
Ge10/SiO2 10 0 No 16 0 0.6 2.71
Ge17/SiO2 17 5 Yes 36 0 0.8 2.53
Ge32/SiO2 32 12 No 56 0 1.0 8.88
Ge16Si16/SiO2 32 12 No 56 0 1.0 8.77
a-Si10/a-SiO2 10 1 Yes 20 0 0.6 2.61
a-Si17/a-SiO2 17 5 Yes 33 3 0.8 2.49
a-Si32/a-SiO2 32 7 No 45 3 1.0 8.67
a-Ge10/a-SiO2 10 1 Yes 20 0 0.6 2.69
a-Ge17/a-SiO2 17 5 Yes 33 3 0.8 2.56
a-Ge32/a-SiO2 32 7 No 45 3 1.0 8.90