Deligöz, EnginÇolako?lu, KemalBoğaz Özışık, HavvaÇiftçi, Yasemin Öztekin2019-07-122019-07-1220121293-2558https://dx.doi.org/10.1016/j.solidstatesciences.2012.04.014https://hdl.handle.net/20.500.12451/2227Deligöz, Engin (Aksaray, Yazar) Özışık, Havva (Aksaray, Yazar)The structural, lattice dynamical, and some thermodynamical properties of TcB 2 in hexagonal AlB 2-type structure (Hex-I) (space group P6/mmm), hexagonal ReB 2-type structure (Hex-II) (space group P63/mmc) are investigated using first-principles calculations. The phonon dispersion curves are derived from the direct method. The present results show that this compound is dynamically stable for considered structures. The temperature-dependent behavior of thermodynamical properties such as internal energy, free energy, entropy, and heat capacity are also presented and trends are discussed.eninfo:eu-repo/semantics/closedAccessPhonon PropertiesTcB 2Thermodynamical PropertiesArticle14779480010.1016/j.solidstatesciences.2012.04.014Q1N/A