Kahveci, N.Çiftçi, Y.O.Çolakoğlu, K.Özışık, H.B.2023-12-042023-12-042010https://hdl.handle.net/20.500.12451/11328In this work, we have performed a first-principles study on TlBr compound by using the density functional theory implemented in GGA approximations in cubic crystal structure. Based on the optimized structural parameter, which is in good agreement with the experimental data, the electronic structure, elastic and thermodynamics properties are calculated. We have, also, predicted the temperature and pressure variation of the volume, bulk modulus, thermal expansion coefficient, heat capacities, and Debye temperatures in a wide pressure (0 - 30 GPa) and temperature ranges (0- 400 K).eninfo:eu-repo/semantics/openAccessAb initioStudy of TlBrIntermetallic CompoundArticle162243