Research Article
Stress-Driven Evolution on Mismatched Ca2Co2O5 Oxide Material: From Geometry to the Electronic States
Table 1
Lattice parameters, total energy, formation enthalpy, and magnetism of sandwiched Ca2Co2O5 crystalline oxide.
| | a (Å) | b (Å) | c (Å) | V (Å3) | α, β (°) | γ (°) | Et (eV) | Ef (eV) | Magnetism |
| Counterpart | 4.9019 | 4.5640 | 11.2403 | 248.9924 | 90 | 98.06 | −12556.6 | −6.221 | AFM | 1 GPa | 4.8873 | 4.5536 | 11.2336 | 247.5373 | 90 | 98.06 | −12556.5 | −6.220 | AFM | Ratio | 0.997 | 0.998 | 0.999 | 0.994 | 1 | 1 | — | — | — |
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