Limits to doping of wide band gap semiconductors

A. Walsh, J. Buckeridge, C.R.A. Catlow, A.J. Jackson, T.W. Keal, M. Miskufova, P. Sherwood, S.A. Shevlin, M.B. Watkins, S.M. Woodley, A.A. Sokol

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Abstract

The role of defects in materials is one of the long-standing issues in solid-state chemistry and physics. On one hand, intrinsic ionic disorder involving stoichiometric amounts of lattice vacancies and interstitials is known to form in highly ionic crystals. There is a substantial literature on defect formation and the phenomenological limits of doping in this class of materials; in particular, involving the application of predictive quantum mechanical electronic structure computations. Most wide band gap materials conduct only electrons and few conduct holes, but rarely are both modes of conduction accessible in a single chemical system. The energies of electrons and holes are taken from the vertical ionization potentials and electron affinities; polaronic trapping of carriers is excluded. While the focus here is defect energetics, the atomic and electronic structures have been carefully examined in all cases to ensure physical results were obtained.
Original languageEnglish
Pages (from-to)2924-2926
Number of pages3
JournalChemistry of Materials
Volume25
Issue number15
DOIs
Publication statusPublished - 13 Aug 2013

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Doping (additives)
Defects
Electronic structure
Crystal atomic structure
Electron affinity
Electrons
Ionization potential
Crystal lattices
Vacancies
Energy gap
Physics
Crystals
Wide band gap semiconductors

Cite this

Walsh, A., Buckeridge, J., Catlow, C. R. A., Jackson, A. J., Keal, T. W., Miskufova, M., ... Sokol, A. A. (2013). Limits to doping of wide band gap semiconductors. Chemistry of Materials, 25(15), 2924-2926. https://doi.org/10.1021/cm402237s

Limits to doping of wide band gap semiconductors. / Walsh, A.; Buckeridge, J.; Catlow, C.R.A.; Jackson, A.J.; Keal, T.W.; Miskufova, M.; Sherwood, P.; Shevlin, S.A.; Watkins, M.B.; Woodley, S.M.; Sokol, A.A.

In: Chemistry of Materials, Vol. 25, No. 15, 13.08.2013, p. 2924-2926.

Research output: Contribution to journalArticle

Walsh, A, Buckeridge, J, Catlow, CRA, Jackson, AJ, Keal, TW, Miskufova, M, Sherwood, P, Shevlin, SA, Watkins, MB, Woodley, SM & Sokol, AA 2013, 'Limits to doping of wide band gap semiconductors', Chemistry of Materials, vol. 25, no. 15, pp. 2924-2926. https://doi.org/10.1021/cm402237s
Walsh A, Buckeridge J, Catlow CRA, Jackson AJ, Keal TW, Miskufova M et al. Limits to doping of wide band gap semiconductors. Chemistry of Materials. 2013 Aug 13;25(15):2924-2926. https://doi.org/10.1021/cm402237s
Walsh, A. ; Buckeridge, J. ; Catlow, C.R.A. ; Jackson, A.J. ; Keal, T.W. ; Miskufova, M. ; Sherwood, P. ; Shevlin, S.A. ; Watkins, M.B. ; Woodley, S.M. ; Sokol, A.A. / Limits to doping of wide band gap semiconductors. In: Chemistry of Materials. 2013 ; Vol. 25, No. 15. pp. 2924-2926.
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