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Valence band modification of Cr2O3 by Ni-doping: creating a high figure of merit p-type TCO

Arca, E; Kehoe, AB; Veal, TD; Shmeliov, A; Scanlon, DO; Downing, C; Daly, D; ... Watson, GW; + view all (2017) Valence band modification of Cr2O3 by Ni-doping: creating a high figure of merit p-type TCO. Journal of Materials Chemistry C , 5 (47) pp. 12610-12618. 10.1039/c7tc03545d. Green open access

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Abstract

p-Type transparent conductors and semiconductors still suffer from remarkably low performance compared to their more widespread n-type counterparts, despite extensive investigation into their development. In this contribution, we present a comparative study on the defect chemistry of potential p-type transparent conducting oxides Mg-doped and Ni-doped Cr 2 O 3 . Conductivities as high as 28 S cm -1 were achieved by Ni-doping. By benchmarking crystallography and spectroscopy characterization against density functional theory calculations, we show that the incorporation of Ni into Cr 2 O 3 contributes to the composition of the valence band, making the formed holes more delocalized, while Mg states do not interact with the valence band in Mg-doped Cr 2 O 3 . Furthermore, it is experimentally proven that Ni has a higher solubility in Cr 2 O 3 than Mg, at least in the highly non-thermodynamic deposition conditions used for these experiments, which directly translates into a higher acceptor concentration. The combination of these two effects means that Ni is a more effective acceptor in Cr 2 O 3 than Mg and explains the improved conductivity observed for the former.

Type: Article
Title: Valence band modification of Cr2O3 by Ni-doping: creating a high figure of merit p-type TCO
Open access status: An open access version is available from UCL Discovery
DOI: 10.1039/c7tc03545d
Publisher version: http://dx.doi.org/10.1039/c7tc03545d
Language: English
Additional information: This article is licensed under a Creative Commons Attribution 3.0 Unported Licence (http://creativecommons.org/licenses/by/3.0/).
UCL classification: UCL
UCL > Provost and Vice Provost Offices > UCL BEAMS
UCL > Provost and Vice Provost Offices > UCL BEAMS > Faculty of Maths and Physical Sciences
UCL > Provost and Vice Provost Offices > UCL BEAMS > Faculty of Maths and Physical Sciences > Dept of Chemistry
URI: https://discovery.ucl.ac.uk/id/eprint/10041328
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