Valence band structure of BaCuSF and BaCuSeF Public Deposited

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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.
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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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