Table 2. Formation Energy (ΔHf) in Top-Layer, Sub-Layer, and Bulk for Various Systems.
| ΔEf (eV) | ||
|---|---|---|
| CeO2 | top-layer | 2.93 |
| sublayer | 3.21 | |
| bulk | 4.71 | |
| binary (CeGdO) | top-layer | –0.28 |
| sublayer | 0.18 | |
| bulk | 4.15 | |
| binary (CePrO) | top-layer | –0.24 |
| sublayer | –0.13 | |
| bulk | 2.17 | |
| ternary (CeLaGdO) | top-layer | –0.20 |
| sublayer | –0.09 | |
| bulk | 0.07 | |
| ternary (CeLaPrO) | top-layer | –0.62 |
| sublayer | –0.50 | |
| bulk | 0.29 | |
| quinary | top-layer | –0.43 |
| (CeLaPrSmGdO) | sublayer | 0.01 |
| bulk | 0.21 |