Koc H.Mamedov, Amirullah M.Özbay, Ekmel2016-02-082016-02-082012http://hdl.handle.net/11693/28148Date of Conference: 9-13 July 2012We have performed a first principles study of structural, electronic, and optical properties of rhombohedral Sb 2Te 3 and Bi 2Te 3 compounds using the density functional theory within the local density approximation. The lattice parameters, bulk modulus, and its pressure derivatives of these compounds have been obtained. The linear photon-energy dependent dielectric functions and some optical properties such as the energy-loss function, the effective number of valance electrons and the effective optical dielectric constant are calculated and presented in the study © 2012 IEEE.EnglishAb initio calculationsDielectric functionsElectronic band structureFirst-principles studyOptical dielectric constantPressure derivativesTopological insulatorsBismuth compoundsDielectric materialsElectronic structureLocal density approximationOptical propertiesAntimony compoundsConference Paper10.1109/ISAF.2012.6297780