Research Article
First-Principles Calculations on Atomic and Electronic Properties of Ge/4H-SiC Heterojunction
Table 2
Unrelaxed and relaxed
, , , and
.
| | (eV) | (eV) | (eV) | (J/m2) |
| Unrelaxed | −5777.006 | −12844.091 | −18642.163 | 0.104 | Relaxed | −5777.551 | −12845.745 | −18644.926 | 0.106 |
| | (eV) | (eV) | (eV) | (J/m2) |
| Unrelaxed | −3207.981 | −8523.457 | −11742.871 | 0.193 | Relaxed | −3208.026 | −8524.842 | −11746.039 | 0.222 |
|
|