Inverse design approach to hole doping in ternary oxides: Enhancing p-type conductivity in cobalt oxide spinels

J. D. Perkins, T. R. Paudel, A. Zakutayev, P. F. Ndione, P. A. Parilla, D. L. Young, S. Lany, D. S. Ginley, A. Zunger, N. H. Perry, Y. Tang, M. Grayson, T. O. Mason, J. S. Bettinger, Y. Shi, M. F. Toney

    Research output: Contribution to journalArticlepeer-review

    67 Citations (Scopus)

    Abstract

    Holes can be readily doped into small-gap semiconductors such as Si or GaAs, but corresponding p-type doping in wide-gap insulators, while maintaining transparency, has proven difficult. Here, by utilizing design principles distilled from theory with systematic measurements in the prototype A 2BO4 spinel Co2ZnO4, we formulate and test practical design rules for effective hole doping. Using these, we demonstrate a 20-fold increase in the hole density in Co2ZnO 4 due to extrinsic (Mg) doping and, ultimately, a factor of 104 increase for the inverse spinel Co2NiO4, the x = 1 end point of Ni-doped Co2Zn1-xNixO4.

    Original languageEnglish
    Article number205207
    JournalPhysical Review B - Condensed Matter and Materials Physics
    Volume84
    Issue number20
    DOIs
    Publication statusPublished - Nov 14 2011

    All Science Journal Classification (ASJC) codes

    • Electronic, Optical and Magnetic Materials
    • Condensed Matter Physics

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