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

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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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    Perkins, J. D., Paudel, T. R., Zakutayev, A., Ndione, P. F., Parilla, P. A., Young, D. L., Lany, S., Ginley, D. S., Zunger, A., Perry, N. H., Tang, Y., Grayson, M., Mason, T. O., Bettinger, J. S., Shi, Y., & Toney, M. F. (2011). Inverse design approach to hole doping in ternary oxides: Enhancing p-type conductivity in cobalt oxide spinels. Physical Review B - Condensed Matter and Materials Physics, 84(20), [205207]. https://doi.org/10.1103/PhysRevB.84.205207