Research Article
A New Phase of GaN
Table 1
Calculated lattice constants for Ga
Al
N (
supercell) alloy.
| Space group | Composition | Lattice constant (Å) | | GGA | LDA | | | | | | |
| Pnma | 0 | 12.136 | 3.306 | 10.850 | 11.795 | 3.232 | 10.747 | 0.031 | 12.113 | 3.298 | 10.819 | 11.761 | 3.226 | 10.656 | 0.063 | 12.079 | 3.291 | 10.793 | 11.717 | 3.219 | 10.635 | 0.094 | 12.037 | 3.285 | 10.764 | 11.680 | 3.213 | 10.607 | 0.125 | 12.018 | 3.267 | 10.721 | 11.657 | 3.207 | 10.581 |
| P63mc | 0 | 3.225 | | 5.257 | 3.156 | | 5.148 | 0 | 3.232 | | 5.268 | 3.196 | | 5.222 | | | | | 3.145 | | 5.111 | 0 | | | | 3.190 | | 5.190 | Exp | 3.190 | | 5.189 | | | |
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This work, [23], [24], [25], [26], and [22].
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