Now showing items 1-2 of 2
DFT study of thermoelectric performance of SrTiO3 doped by tantalum
(Universiti Malaysia Perlis (UniMAP), 2019-10)
This paper deals with enhancement of thermoelectric performance of SrTiO3 - a perovskite-based material by doping Ti-site with Ta. The electronic and the thermoelectric transport properties of doped SrTiO3 were studied ...
First Principles Enhanced Electronic Band Structure of SrTiO3 using DFT+U Method
(Universiti Malaysia Perlis (UniMAP), 2019-01)
Density functional theory (DFT) technique was used to study the influence of Hubbard U on the calculated electronic properties of perovskite SrTiO3. We used the Quantum Espresso (QE) software package with exchange-correction ...