First principles-phonon Boltzmann transport equation solver
Solver package：
Gift-BTE (Coming up soon…)
Input phonon properties：
Discretized from first-principles phonon properties. Details can be found in:
Yue Hu, Yongxing Shen, Hua Bao*, Optimized Phonon Band Discretization Scheme for Efficiently Solving the Nongray Boltzmann Transport Equation. Journal of Heat Transfer, 144, 072501 2022 (link)
Silicon：
|
Mean free path (nm) |
1.219 |
2.646 |
8.232 |
25.61 |
55.61 |
113.1 |
773.5 |
9504 |
64990 |
| weight |
1.052e+07 |
3.592e+07 |
9.202e+07 |
1.668e+08 |
1.395e+08 |
1.065e+08 |
7.017e+07 |
5.323e+06 |
1.232e+05 |
Gallium arsenide
|
Mean free path (nm) |
31.51 |
65.26 |
168.7 |
349.5 |
573.3 |
1773 |
7738 |
23930 |
|
weight |
1.052e+07 |
3.592e+07 |
9.202e+07 |
1.668e+08 |
1.395e+08 |
1.065e+08 |
7.017e+07 |
5.323e+06 |
Diamond
|
Mean free path (nm) |
448.1 |
602.7 |
800.2 |
1615 |
4826 |
16110 |
49620 |
10020 |
|
weight |
4.804e+10 |
4.117e+11 |
2.739e+11 |
6.023e+10 |
1.056e+10 |
1.015e+09 |
1.353e+08 |
5.509e+07 |
Lead telluride
|
Mean free path (nm) |
0.87 |
1.371 |
2.663 |
5.172 |
8.140 |
13.49 |
51.52 |
196.7 |
|
weight |
1.779e+08 |
2.014e+08 |
6.585e+08 |
3.232e+08 |
1.148e+08 |
9.753e+07 |
8.587e+06 |
2.567e+05 |