Abstract

The anisotropic in elastic and thermal properties of C40-, C49-and C54-TiGe2, Ti5Ge3 and Ti6Ge5 were calculated by first-principles. The elastic properties of C40-, C49-and C54-TiGe2, Ti5Ge3 and Ti6Ge5 were obtained by Voigt-Reuss-Hill method. According to obtained elastic modulus, Vickers hardness HV of TiGe2, Ti5Ge3 and Ti6Ge5 were calculated. The elastic anisotropies of TiGe2, Ti5Ge3 and Ti6Ge5 were characterized by elastic anisotropic indexes (AU, AB, AG, A1, A2 and A3), three-dimensional(3D) constructions and projections of bulk and Young's moduli. In addition, the Debye temperature and sound velocity were obtained according to the elastic modulus. Finally, the directional sound velocities were also calculated and analyzed.

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