Electronic structure engineering of SrTiO3 via rhodium doping: A DFT study

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DC Field	Value	Language
dc.contributor.author	Shenoy U.S.
dc.contributor.author	Bhat D.K.
dc.date.accessioned	2021-05-05T10:27:01Z	-
dc.date.available	2021-05-05T10:27:01Z	-
dc.date.issued	2021
dc.identifier.citation	Journal of Physics and Chemistry of Solids Vol. 148 , , p. -	en_US
dc.identifier.uri	https://doi.org/10.1016/j.jpcs.2020.109708
dc.identifier.uri	http://idr.nitk.ac.in/jspui/handle/123456789/15403	-
dc.description.abstract	SrTiO3, 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 SrTiO3 has shown considerable improvement in its TE properties. Herein, we study the electronic structure modifications in Rh doped SrTiO3 by varying the dopant site by using first principles density functional theory calculations. Rh acts as a resonant dopant in SrTiO3 by distorting the density of states near the Fermi level. Transport property calculations predict Rh doped SrTiO3 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 Ltd	en_US
dc.title	Electronic structure engineering of SrTiO3 via rhodium doping: A DFT study	en_US
dc.type	Article	en_US
Appears in Collections:	1. Journal Articles

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