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

doi:10.1103/PhysRevB.84.205207

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 journal › Article › peer-review

74 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 Co₂Zn_1-xNi_xO₄.

Original language	English
Article number	205207
Journal	Physical Review B - Condensed Matter and Materials Physics
Volume	84
Issue number	20
DOIs	https://doi.org/10.1103/PhysRevB.84.205207
Publication status	Published - Nov 14 2011
Externally published	Yes

All Science Journal Classification (ASJC) codes

Electronic, Optical and Magnetic Materials
Condensed Matter Physics

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10.1103/PhysRevB.84.205207

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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

Perkins, JD, Paudel, TR, Zakutayev, A, Ndione, PF, Parilla, PA, Young, DL, Lany, S, Ginley, DS, Zunger, A, Perry, NH, Tang, Y, Grayson, M, Mason, TO, Bettinger, JS, Shi, Y & Toney, MF 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, vol. 84, no. 20, 205207. https://doi.org/10.1103/PhysRevB.84.205207

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

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.",

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

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doi = "10.1103/PhysRevB.84.205207",

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T2 - Enhancing p-type conductivity in cobalt oxide spinels

AU - Perkins, J. D.

AU - Paudel, T. R.

AU - Zakutayev, A.

AU - Ndione, P. F.

AU - Parilla, P. A.

AU - Young, D. L.

AU - Lany, S.

AU - Ginley, D. S.

AU - Zunger, A.

AU - Perry, N. H.

AU - Tang, Y.

AU - Grayson, M.

AU - Mason, T. O.

AU - Bettinger, J. S.

AU - Shi, Y.

AU - Toney, M. F.

PY - 2011/11/14

Y1 - 2011/11/14

N2 - 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.

AB - 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.

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

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