Research Article
Pressure Prediction of Electronic, Anisotropic Elastic, Optical, and Thermal Properties of Quaternary (M2/3Ti1/3)3AlC2 (M = Cr, Mo, and Ti)
Table 4
Theoretically calculated Debye temperature (
in K) and sound velocity (
,
, and
in m/s) under various pressure (GPa) for Al
4Si
2C
5.
| Pressure (GPa) | Cr2TiAlC2 | Mo2TiAlC2 | Ti3AlC2 | Debye () | | | | Debye () | | | | Debye () | | | |
| 0 | 764.4 | 5.15 | 8.57 | 5.69 | 641.1 | 4.47 | 7.71 | 4.96 | 789.6 | 5.65 | 8.94 | 6.21 | 10 | 808.8 | 5.35 | 9.13 | 5.94 | 677.6 | 4.66 | 8.18 | 5.18 | 828.1 | 5.79 | 9.45 | 6.4 | 20 | 853.6 | 5.58 | 9.55 | 6.18 | 706.1 | 4.79 | 8.55 | 5.33 | 865.7 | 5.95 | 9.92 | 6.58 | 30 | 879.8 | 5.68 | 9.86 | 6.3 | 730.5 | 4.9 | 8.85 | 5.46 | 904.9 | 6.14 | 10.32 | 6.79 | 40 | 896.7 | 5.72 | 10.13 | 6.36 | 747.3 | 4.96 | 9.11 | 5.53 | 927.6 | 6.21 | 10.62 | 6.88 | 50 | 920.2 | 5.81 | 10.42 | 6.47 | 763.9 | 5.02 | 9.35 | 5.61 | 948.7 | 6.28 | 10.9 | 6.97 | 60 | 938.4 | 5.87 | 10.71 | 6.55 | 780.8 | 5.09 | 9.57 | 5.69 | 977.3 | 6.4 | 11.2 | 7.11 | 70 | 955.7 | 5.93 | 10.89 | 6.62 | 794 | 5.13 | 9.76 | 5.74 | 983.2 | 6.38 | 11.36 | 7.1 | 80 | 977 | 6.02 | 11.15 | 6.72 | 806.2 | 5.17 | 9.95 | 5.79 | 993.6 | 6.39 | 11.53 | 7.12 | 90 | 993.3 | 6.08 | 11.33 | 6.79 | 816.9 | 5.21 | 10.11 | 5.83 | 1001.9 | 6.38 | 11.67 | 7.12 | 100 | 1008.7 | 6.13 | 11.56 | 6.85 | 827.7 | 5.24 | 10.27 | 5.87 | 1025 | 6.49 | 11.89 | 7.24 |
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