Deligöz, EnginÇolako?lu, KemalÇiftçi, Yasemin Öztekin13.07.20192019-07-2913.07.20192019-07-2920090038-1098https://doi.org/10.1016/j.ssc.2009.07.010https://hdl.handle.net/20.500.12451/5643We have investigated the structural and lattice dynamical properties of XB2(X = Sc, V, Ti) by using first-principles total energy calculations. Specifically, the lattice parameters (a, c) of the stable phase, the bond lengths of X-B and B-B atoms, phonon dispersion curves and the corresponding density of states, and some thermodynamical quantities such as internal energy, entropy, heat capacity, and their temperature-dependent behaviours, are presented. The obtained results for structural parameters are in good agreement with the available experimental and other theoretical studies.eninfo:eu-repo/semantics/closedAccessHeat CapacityPhononsThermodynamic PropertiesArticle14941-421843184810.1016/j.ssc.2009.07.010Q2WOS:000270690000027N/A