Sürücü, G.Çolakoğlu, K.Deligöz, EnginÖZIŞIK, H. B.2023-12-042023-12-042010https://hdl.handle.net/20.500.12451/11324To deeply understand the structural and thermo-elastic properties of the NiAs-type (space number:194) of intermetallic compound PtBi, we have performed ab-initio density-functional theory within the local density approximation. Some basic physical parameters such as lattice constant, bulk modulus, elastic constants, shear modulus, Young’s modulus, Poison’s ratio, and Lamé constant are calculated. We have also obtained the temperature and pressure variations of the volume, bulk modulus, thermal expansion coefficient, heat capacity, and Debye temperature in a wide pressure (0-30 GPa) and temperature (0- 800 K) ranges. Our findings on the structural properties are in agreement with the available experimental data.eninfo:eu-repo/semantics/openAccessThermo-Elastic PropertiesPtBi CompoundArticle16145149