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 |