Table 2 Elastic properties of RBaCl3 (R = Tl and Cs).
From: DFT analysis of wide band gap TlBaCl3 and CsBaCl3 chloroperovskites for UV applications
Property | TlBaCl3 | CsBaCl3 |
|---|---|---|
C11 (GPa) | 115.41 | 211.21 |
C12 (GPa) | 63.22 | 97.33 |
C44 (GPa) | 47.29 | 77.23 |
Bulk Modulus (B) (GPa) | 21.32 | 22.23 |
Voigt Shear Modulus (Gv) (GPa) | 38.99 | 69.07 |
Reuss Shear Modulus (GR) (GPa) | 35.52 | 65.00 |
Hill Shear Modulus (GH) (GPa) | 37.26 | 67.04 |
Young’s Modulus (E) (GPa) | 96.89 | 172.64 |
Poisson’s Ratio (ν) | 0.30 | 0.30 |
Anisotropy Factor (A) | 1.81 | 1.36 |
Pugh’s Ratio (B/GH) | 2.16 | 2.02 |
