Band structure engineering in highly degenerate tetrahedrites through isovalent doping

Xu Lu, Wei Yao, Guiwen Wang, Xiaoyuan Zhou, Donald Morelli, Yongsheng Zhang, Hang Chi, Si Hui, Ctirad Uher

    Research output: Research - peer-reviewArticle

    • 6 Citations

    Abstract

    It can be difficult to reduce the electrical resistivity of highly degenerate semiconductors due to their high carrier concentration, impeding the further increase in their thermoelectric power factor. Here we report on an enhancement in the power factor of highly degenerate Cu12Sb4S13-xSex solid solutions, which show a dramatic decrease in the electrical resistivity while maintaining a constant Seebeck coefficient for various contents of Se. Rather than arising from an increased carrier concentration, the reduced electrical resistivity is a consequence of the upward displacement of the valence bands with low effective masses. Using theoretical calculations, we show that these additional valence bands have a similar density of states effective mass to that of the existing conduction valley, thus yielding unchanged Seebeck coefficients. The results suggest that the power factor of highly degenerate semiconductors can be enhanced through careful band structure engineering via isovalent doping.

    LanguageEnglish (US)
    Pages17096-17103
    Number of pages8
    JournalJournal of Materials Chemistry A
    Volume4
    Issue number43
    DOIs
    StatePublished - 2016

    Profile

    Seebeck coefficient
    Valence bands
    Band structure
    Carrier concentration
    Doping (additives)
    Semiconductor materials
    Thermoelectric power
    Solid solutions

    ASJC Scopus subject areas

    • Chemistry(all)
    • Renewable Energy, Sustainability and the Environment
    • Materials Science(all)

    Cite this

    Band structure engineering in highly degenerate tetrahedrites through isovalent doping. / Lu, Xu; Yao, Wei; Wang, Guiwen; Zhou, Xiaoyuan; Morelli, Donald; Zhang, Yongsheng; Chi, Hang; Hui, Si; Uher, Ctirad.

    In: Journal of Materials Chemistry A, Vol. 4, No. 43, 2016, p. 17096-17103.

    Research output: Research - peer-reviewArticle

    Lu, X, Yao, W, Wang, G, Zhou, X, Morelli, D, Zhang, Y, Chi, H, Hui, S & Uher, C 2016, 'Band structure engineering in highly degenerate tetrahedrites through isovalent doping' Journal of Materials Chemistry A, vol 4, no. 43, pp. 17096-17103. DOI: 10.1039/c6ta07015a
    Lu, Xu ; Yao, Wei ; Wang, Guiwen ; Zhou, Xiaoyuan ; Morelli, Donald ; Zhang, Yongsheng ; Chi, Hang ; Hui, Si ; Uher, Ctirad. / Band structure engineering in highly degenerate tetrahedrites through isovalent doping. In: Journal of Materials Chemistry A. 2016 ; Vol. 4, No. 43. pp. 17096-17103
    @article{b11741460701486bb53434192dec108c,
    title = "Band structure engineering in highly degenerate tetrahedrites through isovalent doping",
    abstract = "It can be difficult to reduce the electrical resistivity of highly degenerate semiconductors due to their high carrier concentration, impeding the further increase in their thermoelectric power factor. Here we report on an enhancement in the power factor of highly degenerate Cu12Sb4S13-xSex solid solutions, which show a dramatic decrease in the electrical resistivity while maintaining a constant Seebeck coefficient for various contents of Se. Rather than arising from an increased carrier concentration, the reduced electrical resistivity is a consequence of the upward displacement of the valence bands with low effective masses. Using theoretical calculations, we show that these additional valence bands have a similar density of states effective mass to that of the existing conduction valley, thus yielding unchanged Seebeck coefficients. The results suggest that the power factor of highly degenerate semiconductors can be enhanced through careful band structure engineering via isovalent doping.",
    author = "Xu Lu and Wei Yao and Guiwen Wang and Xiaoyuan Zhou and Donald Morelli and Yongsheng Zhang and Hang Chi and Si Hui and Ctirad Uher",
    year = "2016",
    doi = "10.1039/c6ta07015a",
    volume = "4",
    pages = "17096--17103",
    journal = "Journal of Materials Chemistry A",
    issn = "2050-7488",
    publisher = "Royal Society of Chemistry",
    number = "43",

    }

    TY - JOUR

    T1 - Band structure engineering in highly degenerate tetrahedrites through isovalent doping

    AU - Lu,Xu

    AU - Yao,Wei

    AU - Wang,Guiwen

    AU - Zhou,Xiaoyuan

    AU - Morelli,Donald

    AU - Zhang,Yongsheng

    AU - Chi,Hang

    AU - Hui,Si

    AU - Uher,Ctirad

    PY - 2016

    Y1 - 2016

    N2 - It can be difficult to reduce the electrical resistivity of highly degenerate semiconductors due to their high carrier concentration, impeding the further increase in their thermoelectric power factor. Here we report on an enhancement in the power factor of highly degenerate Cu12Sb4S13-xSex solid solutions, which show a dramatic decrease in the electrical resistivity while maintaining a constant Seebeck coefficient for various contents of Se. Rather than arising from an increased carrier concentration, the reduced electrical resistivity is a consequence of the upward displacement of the valence bands with low effective masses. Using theoretical calculations, we show that these additional valence bands have a similar density of states effective mass to that of the existing conduction valley, thus yielding unchanged Seebeck coefficients. The results suggest that the power factor of highly degenerate semiconductors can be enhanced through careful band structure engineering via isovalent doping.

    AB - It can be difficult to reduce the electrical resistivity of highly degenerate semiconductors due to their high carrier concentration, impeding the further increase in their thermoelectric power factor. Here we report on an enhancement in the power factor of highly degenerate Cu12Sb4S13-xSex solid solutions, which show a dramatic decrease in the electrical resistivity while maintaining a constant Seebeck coefficient for various contents of Se. Rather than arising from an increased carrier concentration, the reduced electrical resistivity is a consequence of the upward displacement of the valence bands with low effective masses. Using theoretical calculations, we show that these additional valence bands have a similar density of states effective mass to that of the existing conduction valley, thus yielding unchanged Seebeck coefficients. The results suggest that the power factor of highly degenerate semiconductors can be enhanced through careful band structure engineering via isovalent doping.

    UR - http://www.scopus.com/inward/record.url?scp=84994257465&partnerID=8YFLogxK

    UR - http://www.scopus.com/inward/citedby.url?scp=84994257465&partnerID=8YFLogxK

    U2 - 10.1039/c6ta07015a

    DO - 10.1039/c6ta07015a

    M3 - Article

    VL - 4

    SP - 17096

    EP - 17103

    JO - Journal of Materials Chemistry A

    T2 - Journal of Materials Chemistry A

    JF - Journal of Materials Chemistry A

    SN - 2050-7488

    IS - 43

    ER -