Face | Surface energy (J/m2) | Work function (eV) | Reference | |
(0001)-Zn | 1.64 | 5.568 | LDA | This work |
| 2.08 | 5.713 | GGA-PBE | |
| 5.1 | [71] | ||
| 4.08 | [72] | ||
| 3.7 | [73] | ||
| 3.7 | [74] | ||
| 3.15 | [75] | ||
2.0 |
| [76] | ||
2.25 |
| [77] | ||
(000-1)-O | 1.68 | 5.60 | LDA | This work |
| 2.04 | 5.79 | GGA-PBE | |
| 6.0 | [73] | ||
| 4.85 | [75] | ||
| 4.8 | [71] | ||
| 4.5 | [74] | ||
|
|
| ||
2.04 |
| [77] | ||
(0001)-Cu | 0.69 | 5.74 | LDA | This work |
| 0.78 | 5.23 | GGA-PBE | |
| 4.58 | [78] | ||
| 4.84 | [79] | ||
0.71 |
| [80] | ||
(0001)-O | 1.35 | 6.43 | LDA | This work |
| 1.72 | 6.28 | GGA-PBE | |
1.63 |
| [78] |