Research Article
A New Phase of GaN
Table 2
Calculated elastic constant
(GPa), bulk modulus
(GPa), shear modulus
(GPa), and Young’s modulus
(GPa) of GaN.
| | | | | | | | | | | | | | |
| Pnma | GGA | 156 | 63 | 114 | 271 | 117 | 263 | 72 | 92 | 66 | 134 | 66 | 170 | LDA | 147 | 80 | 141 | 315 | 145 | 306 | 75 | 97 | 64 | 150 | 68 | 177 |
| P63mc | GGA | 321 | 107 | 84 | | | 334 | 88 | | 107 | 170 | 103 | 257 | LDA | 372 | 137 | 107 | | | 425 | 96 | | 118 | 208 | 115 | 291 | LDA | 334 | 132 | 99 | | | 372 | 86 | | 101 | 189 | | 330 | LDA | 377 | 160 | 114 | | | 209 | 81 | | 109 | 195 | | 324 | LDA | 396 | 144 | 100 | | | 392 | 91 | | 126 | | | | Exp. | 373 | 141 | 80 | | | 387 | 94 | | 118 | 207 | | 373 |
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This work, [23], [27], [28], [25], and [29].
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