Doping cuprous oxide with fluorine and its band gap narrowing

Ye, F. et al. (2017) Doping cuprous oxide with fluorine and its band gap narrowing. Journal of Alloys and Compounds, 721, pp. 64-69. (doi: 10.1016/j.jallcom.2017.05.272)

Abstract

Phase-pure cuprous oxide (Cu2O) thin films doped with Fluorine (F) have been prepared under thermal diffusion at diffusion temperatures of 1123 K and 1223 K and it is found that higher diffusion temperature leads to larger grain size. F-doping slightly reduces the lattice constant and F-doped Cu2O thin films exhibit p-type semiconductor characteristics. The reduction of band gap occurs due to F-doping induced impurity band, because F-doped samples have larger Urbach tails than that of undoped samples. Theoretical calculation demonstrates that substitutional F-doping makes Cu2O almost metallic because the energy bands of F atoms enter the forbidden gap, and interstitial F-doping narrows the band gap because F atoms contribute to the valence bands. The doped F atoms are very possibly interstial and play the role of acceptors in Cu2O. Phase-pure Cu2O doped with F have smaller resistivity and larger hole concentration, implying potential application in solar cells.

• Item Type: Articles
• Status: Published
• Refereed: Yes
• Glasgow Author(s) Enlighten ID: Vellaisamy, Professor Roy
• Authors: Ye, F., Zeng, J.-J., Cai, X.-M., Su, X.-Q., Wang, B., Wang, H., Roy, V.A.L., Tian, X.-Q., Lia, J.-W., Zhang, D.-P., Fan, P., and Zhang, J.
• College/School: College of Science and Engineering > School of Engineering > Electronics and Nanoscale Engineering
• Journal Name: Journal of Alloys and Compounds
• Publisher: Elsevier
• ISSN: 0925-8388
• ISSN (Online): 1873-4669
• Published Online: 27 May 2017

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