화학공학소재연구정보센터
Chemical Physics Letters, Vol.586, 159-163, 2013
Effect of strain on thermoelectric properties of SrTiO3: First-principles calculations
The electronic structures of strained SrTiO3 were investigated by using first-principles calculations, and the anisotropic thermoelectric properties of n-type SrTiO3 under biaxial strain were calculated on the base of the semi-classical Boltzmann transport theory. It was theoretically found that the in-plane and out-of-plane power factors of n-type SrTiO3 can be increased under compressive and tensile strains, respectively, and such dependence can be explained by the strain-induced redistribution of electrons. To further optimize the thermoelectric performance of n-type SrTiO3, the maximum power factors and the corresponding optimal n-type doping levels were evaluated. (C) 2013 Elsevier B.V. All rights reserved.