Table 3. Isotropic Bulk Modulus B (GPa), Shear Modulus G (GPa), Young’s Modulus E (GPa), the Poisson’s Ratio ν, Longitudinal νL (m/s), Transverse νT (m/s), Average Sound Velocity νM (m/s), and Debye Temperature θD (K) for Cs2AgBiCl6 and Cs2AgBiBr6 Polymorphs.
Cs2AgBiCl6 |
Cs2AgBiBr6 |
||||||
---|---|---|---|---|---|---|---|
phase | this work | experiments | other calculations | this work | experiments | other calculations | |
Fm3̅m | BV | 29.48 | 2.30a | 20.97 | 2.41a | ||
BR | 29.48 | 20.97 | |||||
B | 29.48 | 20.97 | |||||
GV | 10.19 | 7.51 | |||||
GR | 9.64 | 7.42 | |||||
G | 9.91 | 7.46 | |||||
B/G | 2.97 | 2.81 | |||||
E | 26.75 | 20.01 | |||||
ν | 0.349 | 0.341 | |||||
νL | 3183 | 2572 | |||||
νT | 1534 | 1264 | |||||
νM | 1724 | 1419 | |||||
θD | 163 | 126 |
Ref (43).