Shenoy, U.S.Bhat, D.K.2026-02-052021Journal of Physics and Chemistry of Solids, 2021, 148, , pp. -223697https://doi.org/10.1016/j.jpcs.2020.109708https://idr.nitk.ac.in/handle/123456789/23523SrTiO<inf>3</inf>, with a highly tunable electronic structure has been recently studied for its thermoelectric (TE) properties. Although originally believed to be a poor TE material, doped SrTiO<inf>3</inf> has shown considerable improvement in its TE properties. Herein, we study the electronic structure modifications in Rh doped SrTiO<inf>3</inf> by varying the dopant site by using first principles density functional theory calculations. Rh acts as a resonant dopant in SrTiO<inf>3</inf> by distorting the density of states near the Fermi level. Transport property calculations predict Rh doped SrTiO<inf>3</inf> to be a potential TE material. The results reveal both p- and n-type TE material could be developed by devising synthetic technique to direct Rh towards Ti or Sr site, respectively. © 2020 Elsevier LtdCalculationsDensity functional theoryElectronic structureStrontium titanatesDensity of stateDFT studyFirst-principles density functional theoryP and n typesStructure engineeringStructure modificationSynthetic techniquesThermoelectricTitanium compounds