Observables | 6H-SiC-graphene | 3C-SiC-graphene | ||||
1.0Å | 1.3Å | 1.5Å | 2.1Å | 2.3Å | 2.5Å | |
Temperature K | 298.06 ± 3.62 | 298.03 ± 3.58 | 298.03 ± 3.52 | 297.99 ± 3.90 | 298.05 ± 4.20 | 298.11 ± 4.24 |
Potential energy eV | −6.2414 ± 0.0004 | −6.2398 ± 0.0005 | −6.2204 ± 0.0004 | −6.2179 ± 0.0005 | −6.2205 ± 0.0005 | −6.2194 ± 0.0005 |
Total energy eV | −6.2031 ± 0.0002 | −6.2014 ± 0.0002 | −6.1821 ± 0.0002 | −6.1821 ± 0.0003 | −6.1822 ± 0.0003 | −6.1811 ± 0.0003 |
Pressure GPa | −11.397 ± 0.110 | −11.073 ± 0.132 | −9.937 ± 0.111 | −11.388 ± 0.223 | −11.484 ± 0.216 | −11.208 ± 0.196 |
RSD Å | 8.8278 ± 0.6516 | 8.7578 ± 0.6685 | 10.4239 ± 0.9430 | 7.4831 ± 0.5632 | 7.5236 ± 0.5797 | 8.4160 ± 0.7692 |