Table 2.
The calculated elastic tensor, Cij (GPa) and corresponding eigenvalues, λ (GPa) of NaSbS2 polymorphs.
NaSbS2 Polymorphs |
Cij | 1 | 2 | 3 | 4 | 5 | 6 | Eigenvalue, λ |
---|---|---|---|---|---|---|---|---|
Monoclinic | 1 | 40.52 | 7.62 | 18.06 | 0.00 | 3.61 | 0.00 | 12.35 |
2 | 7.62 | 40.51 | 10.75 | 0.00 | −0.10 | 0.00 | 17.93 | |
3 | 18.06 | 10.75 | 85.18 | 0.00 | 11.09 | 0.00 | 21.98 | |
4 | 0.00 | 0.00 | 0.00 | 15.09 | 0.00 | −4.34 | 32.01 | |
5 | 3.61 | −0.10 | 11.09 | 0.00 | 19.99 | 0.00 | 40.03 | |
6 | 0.00 | 0.00 | 0.00 | −4.34 | 0.00 | 19.24 | 96.25 | |
Trigonal | 1 | 97.81 | 25.17 | 23.54 | 10.84 | 0.00 | 0.00 | 21.98 |
2 | 25.17 | 97.81 | 23.54 | −10.84 | 0.00 | 0.00 | 25.22 | |
3 | 23.54 | 23.54 | 55.54 | 0.00 | 0.00 | 0.00 | 41.87 | |
4 | 10.84 | −10.84 | 0.00 | 30.18 | 0.00 | 0.00 | 44.52 | |
5 | 0.00 | 0.00 | 0.00 | 0.00 | 30.18 | 10.84 | 77.60 | |
6 | 0.00 | 0.00 | 0.00 | 0.00 | 10.84 | 36.32 | 136.64 | |
Triclinic | 1 | 32.83 | 7.55 | 12.22 | 3.51 | −0.28 | 2.43 | 11.29 |
2 | 7.55 | 31.22 | 10.08 | −3.08 | 2.13 | 1.88 | 11.83 | |
3 | 12.22 | 10.08 | 81.83 | 3.53 | 4.89 | 3.90 | 16.94 | |
4 | 3.51 | −3.08 | 3.53 | 14.20 | 1.43 | 1.45 | 26.31 | |
5 | −0.28 | 2.13 | 4.89 | 1.43 | 14.85 | 2.36 | 34.50 | |
6 | 2.43 | 1.88 | 3.90 | 1.45 | 2.36 | 13.90 | 87.97 |