Thermoelectric properties of layered NaSbSe2. (8th May 2018)

• Record Type: Journal Article
• Authors: Putatunda, Aditya; Xing, Guangzong; Sun, Jifeng; Li, Yuwei; Singh, David J
• Is Part Of: Journal of physics. Volume 30:Number 22(2018)
• Publication Date: 2018-05-08
• Subjects: chalcogenide semiconductor -- thermoelectric -- first-principles calculations; Condensed matter -- Periodicals; Matière condensée -- Périodiques; Vaste stoffen; Vloeistoffen; Natuurkunde; Electronic journals; Computer network resources; 530.4105
• DOI: 10.1088/1361-648X/aabf5b
• Languages: English
• ISSNs: 0953-8984

Abstract

Abstract: We investigate ordered monoclinic NaSbSe2 as a thermoelectric using first principles calculations. We find that from an electronic point of view, ordered and oriented n -type NaSbSe2 is comparable to the best known thermoelectric materials. This phase has a sufficiently large band gap for thermoelectric and solar absorber applications in contrast to the disordered phase which has a much narrower gap. The electronic structure shows anisotropic, non-parabolic bands. The results show a high Seebeck coefficient in addition to direction dependent high conductivity. The electronic structure quantified by an electron fitness function is very favorable, especially in the n -type case.