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Valence band structure of BaCuSF and BaCuSeF

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  • The origin of high hole conduction in BaCuQF (Q=S,Se) was investigated by photoemission measurements and full-potential linearized augmented plane wave band-structure calculations. In both compounds, the large dispersion near the top of the valence band is realized by admixed states of Cu 3d and S 3p or Se 4p orbitals, indicating that high hole mobility is possible. In addition, the valence band maxima of BaCuQF are much closer to the vacuum level than most p-type transparent oxides, which leads to high hole stability in the valence band. The high hole mobility and stability in BaCuQF relative to most oxides afford a significantly larger p-type conductivity.
  • This is the publisher’s final pdf. The published article is copyrighted by the American Institute of Physics and can be found at: http://scitation.aip.org/content/aip/journal/jap. Article Copyright (2006) American Institute of Physics. This article may be downloaded for personal use only. Any other use requires prior permission of the author and the American Institute of Physics.
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  • Yanagi, H., Tate, J., Park, S., Park, C. H., Keszler, D. A., Hirano, M., & Hosono, H. (2006). Valence band structure of BaCuSF and BaCuSeF. Journal of Applied Physics, 104(8), 083705-083705-5. doi:10.1063/1.2358828
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  • 100
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  • 8
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  • This material is based upon work supported by the National Science Foundation under Grant No. 0245386.
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