Deligöz, EnginÇolakoğlu, K.Çiftçi, Y.O.2024-10-152024-10-152008https://doi.org/10.1016/j.jpcs.2007.09.019https://hdl.handle.net/20.500.12451/12547We have studied some structural, thermodynamic, elastic, and electronic properties of pyrite-type SnO2 polymorph by performing ab initio calculations within the LDA approximation. The basic physical properties, in particular lattice constant, bulk modulus, second-order elastic constants (Cij), and the electronic structure, are calculated, and compared with the available experimental data. In order to gain some further information on the mechanical properties, we have also calculated the Young's modulus, Poison's ratio (?), anisotropy factor (A), sound velocities, and Debye temperature for the same compound.eninfo:eu-repo/semantics/embargoedAccessC. ab initio CalculationsD. Elastic PropertiesD. Electronic StructureD. Thermodynamic PropertiesArticle69485986410.1016/j.jpcs.2007.09.019Q1