Please use this identifier to cite or link to this item: http://hdl.handle.net/10397/75896
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dc.contributor.authorTang, XDen_US
dc.contributor.authorFan, DDen_US
dc.contributor.authorPeng, KLen_US
dc.contributor.authorYang, DFen_US
dc.contributor.authorGuo, LJen_US
dc.contributor.authorLu, Xen_US
dc.contributor.authorDai, JYen_US
dc.contributor.authorWang, GYen_US
dc.contributor.authorLiu, HJen_US
dc.contributor.authorZhou, XYen_US
dc.date.accessioned2018-05-10T02:54:53Z-
dc.date.available2018-05-10T02:54:53Z-
dc.date.issued2017-
dc.identifier.citationChemistry of materials, 2017, v. 29, no. 17, p. 7401-7407en_US
dc.identifier.issn0897-4756-
dc.identifier.urihttp://hdl.handle.net/10397/75896-
dc.description.abstractOur previous work demonstrated that Cr2Ge2Te6 based compounds with a layered structure and high symmetry are good candidates for thermoelectric to, application. However, the power factor of only,0.23 mW/mK(2) in undoped material is much lower than that of conventional thermoelectrics. This indicates the importance of an electronic performance optimization for further improvements. In this work, either Mn- or Fe-substitution on the Cr site is investigated, with expectations of both carrier concentration control and band structure engineering. First principle calculations indicate that an orbital hybridization between d orbitals of the doping atom and the p orbital of Te significantly increases the density of states (DOS) around the Fermi level. In addition, it is found that Mn doping is more favorable to improve the electrical properties than Fe doping. By tuning the carrier concentration via Mn doping, the peak power factor rises rapidly from 0.23 mW/mK(2) to 0.57 mW/mK(2) at 830 K with x = 0.05. Combined with the intrinsic low thermal conductivity, Cr1.9Mn0.1Ge2Te6 displays a decent zT of 0.63 at 833 K, a 2-fold value as compared to that of the undoped sample at the same direction and temperature.en_US
dc.description.sponsorshipDepartment of Applied Physicsen_US
dc.language.isoenen_US
dc.publisherAmerican Chemical Societyen_US
dc.relation.ispartofChemistry of materialsen_US
dc.titleDopant induced impurity bands and carrier concentration control for thermoelectric enhancement in p-type Cr2Ge2Te6en_US
dc.typeJournal/Magazine Articleen_US
dc.identifier.spage7401-
dc.identifier.epage7407-
dc.identifier.volume29-
dc.identifier.issue17-
dc.identifier.doi10.1021/acs.chemmater.7b02346-
dc.identifier.isiWOS:000410868600043-
dc.identifier.eissn1520-5002-
dc.identifier.rosgroupid2017002309-
dc.description.ros2017-2018 > Academic research: refereed > Publication in refereed journal-
dc.description.validate201805 bcrc-
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