Major enhancement of the thermoelectric performance in Pr/Nb-doped SrTiO3 under strain
KAUST DepartmentComputational Physics and Materials Science (CPMS)
Functional Nanomaterials and Devices Research Group
Material Science and Engineering Program
Physical Science and Engineering (PSE) Division
Online Publication Date2013-07-16
Print Publication Date2013-07-15
Permanent link to this recordhttp://hdl.handle.net/10754/315726
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AbstractThe electronic structure and thermoelectric properties of strained (biaxially and uniaxially) Sr0.95Pr0.05TiO3 and SrTi0.95Nb0.05O3 are investigated in the temperature range from 300 K to 1200 K. Substitutions of Pr at the Sr site and Nb at the Ti site generate n-type doping and thus improve the thermoelectric performance as compared to pristine SrTiO3. Further enhancement is achieved by the application of strain, for example, of the Seebeck coefficient by 21% for Sr0.95Pr0.05TiO3 and 10% for SrTi0.95Nb0.05O3 at room temperature in the case of 5% biaxial strain. At 1200 K, we predict figures of merit of 0.58 and 0.55 for 2.5% biaxially strained Sr0.95Pr0.05TiO3 and SrTi0.95Nb0.05O3 , respectively, which are the highest values reported for rare earth doped SrTiO3.
CitationAmin B, Singh N, Tritt TM, Alshareef HN, Schwingenschlögl U (2013) Major enhancement of the thermoelectric performance in Pr/Nb-doped SrTiO3 under strain. Appl Phys Lett 103: 031907. doi:10.1063/1.4815928.
JournalApplied Physics Letters