Table 2 Formation energies (E f ) and band gap energies (E g ) of one-side and both-side fully hydrogenated silicene, germanene, SiGe, SiC, and GeC monolayers with chair, boat, and zigzag configurations
Configuration | E f (eV) | E g (eV) | |
---|---|---|---|
Silicene | One-side | −5.935 | 1.893 |
Chair | −7.005 | 2.207 | |
Boat | −6.962 | 1.753 | |
Zigzag | −6.966 | 2.293 | |
Germanene | One-side | −5.345 | 1.709 |
Chair | −6.312 | 1.327 | |
Boat | −6.265 | 1.652 | |
Zigzag | −6.270 | 2.118 | |
SiGe | One-side | −5.182 | 1.826 |
Chair | −6.195 | 1.915 | |
Boat | −6.157 | 1.690 | |
Zigzag | −6.160 | 2.247 | |
SiC | One-side | −6.055 | 3.575 |
Chair | −7.062 | 3.953 | |
Boat | −7.024 | 4.298 | |
Zigzag | −7.028 | 3.905 | |
GeC | One-side | −5.165 | 3.180 |
Chair | −6.262 | 3.528 | |
Boat | −6.220 | 3.619 | |
Zigzag | −6.225 | 3.935 |