Abstract

The lattice parameters of the material were obtained by Quantum Espresso code in the GGA approach a = 12.4346580117 Bohr b / a = 0.7757687079 and c / a = 1.4439057035. In the calculations made, values of 50 Ry (ecutwfc), 175 Ry (ecutrho) were used. Anisotropy factor and linear compressibility were investigated. Elastic constants C11, C22, C33, C44, C55, C66, C12, C13 and C23 were determined with ElaStic software. Using these obtained elastic constants, bulk modulus (55.04 GPa), shear modulus (30.75 GPa), Young modulus (77.77 GPa) and Poisson's ratio (0.26) values were obtained in Hill approximation. The results were compared with current literature values.

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