Structures | (eV) | Eg (eV) | Structure | (eV) | Eg (eV) | ||||||
Type 1 | Type 2 | Type 1 | Type 2 | Type 1 | Type 2 | Type 1 | Type 2 | ||||
60˚ M1 | Si34C36H20-HS1 | −1.51 | −0.88 | 0.11 | 0.04 | 60˚ M2 | Si36C34H20-HS1 | −0.83 | −0.61 | 0.10 | 0.02 |
Si34C36H20-HS2 | −1.29 | −1.77 | 0.12 | 0.06 | Si36C34H20-HS2 | −1.35 | −1.47 | 0.11 | 0.03 | ||
Si34C36H20-HS3 | −0.52 | −0.28 | 0.06 | 0.06 | Si36C34H20-HS3 | −0.50 | −0.41 | 0.11 | 0.05 | ||
Si56C59H25-HS1 | −0.55 | −2.14 | 0.04 | 0.03 | Si59C56H25-HS1 | −0.81 | −1.03 | 0.03 | 0.02 | ||
Si56C59H25-HS2 | −1.41 | −1.89 | 0.04 | 0.03 | Si59C56H25-HS2 | −1.50 | −1.66 | 0.03 | 0.05 | ||
Si56C59H25-HS3 | −0.19 | −0.22 | 0.05 | 0.02 | Si59C56H25-HS3 | −0.86 | −0.17 | 0.04 | 0.03 | ||
180˚ M1 | Si33C36H15-HS1 | −1.49 | −1.68 | 0.02 | 0.02 | 180˚ M2 | Si36C33H15-HS1 | −1.98 | −1.98 | 0.04 | 0.04 |
Si33C36H15-HS2 | −3.23 | −4.12 | 0.03 | 0.04 | Si36C33H15-HS2 | −3.05 | −3.26 | 0.05 | 0.05 | ||
Si33C36H15-HS3 | −0.21 | −0.43 | 0.06 | 0.02 | Si36C33H15-HS3 | −0.28 | −0.80 | 0.01 | 0.03 | ||
Si49C53H18-HS1 | −2.62 | −2.07 | 0.03 | 0.04 | Si53C49H18-HS1 | −1.83 | −2.46 | 0.04 | 0.04 | ||
Si49C53H18-HS2 | −2.12 | −3.20 | 0.04 | 0.04 | Si53C49H18-HS2 | −3.35 | −3.85 | 0.04 | 0.04 | ||
Si49C53H18-HS3 | −0.63 | −1.01 | 0.04 | 0.04 | Si53C49H18-HS3 | −0.49 | −0.39 | 0.04 | 0.02 | ||
300˚ M1 | Si19C24H7-HS1 | −3.09 | −2.71 | 0.02 | 0.03 | 300˚ M2 | Si24C19H7-HS1 | −3.02 | −4.10 | 0.02 | 0.02 |
Si19C24H7-HS2 | −2.05 | −3.91 | 0.03 | 0.03 | Si24C19H7-HS2 | −1.76 | −2.82 | 0.03 | 0.02 | ||
Si19C24H7-HS3 | −1.02 | −1.67 | 0.08 | 0.02 | Si24C19H7-HS3 | −1.80 | −1.95 | 0.02 | 0.02 | ||
Si41C49H10-HS1 | −3.65 | −3.59 | 0.02 | 0.02 | Si49C41H10-HS1 | −3.46 | −4.32 | 0.02 | 0.02 | ||
Si41C49H10-HS2 | −2.96 | −4.69 | 0.03 | 0.01 | Si49C41H10-HS2 | −2.19 | −3.57 | 0.03 | 0.02 | ||
Si41C49H10-HS3 | −1.02 | −1.43 | 0.07 | 0.03 | Si49C41H10-HS3 | −1.79 | −1.57 | 0.03 | 0.03 |