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Title: A tunable amorphous p-type ternary oxide system: the highly mismatched alloy of copper tin oxide
Authors: Isherwood, Patrick J.M.
Butler, K.T.
Walsh, A.
Walls, Michael
Issue Date: 2015
Publisher: © American Institute of Physics (AIP)
Citation: ISHERWOOD, P.J.M. ...et al., 2015. A tunable amorphous p-type ternary oxide system: the highly mismatched alloy of copper tin oxide. Journal of Applied Physics, 118(10), 105702
Abstract: The approach of combining two mismatched materials to form an amorphous alloy was used to synthesise ternary oxides of CuO and SnO2. These materials were analysed across a range of compositions, and the electronic structure was modelled using density functional theory. In contrast to the gradual reduction in optical band gap, the lms show a sharp reduction in both transparency and electrical resistivity with copper contents of greater than 50 %. Simulations indicate this change is caused by a transition from a dominant Sn 5s to Cu 3d contribution to the upper valence band. A corresponding decrease in energetic disorder results in increased charge percolation pathways: a `compositional mobility edge'. Contributions from Cu(II) sub band-gap states are responsible for the reduction in optical transparency.
Description: This article was published in the serial, Journal of Applied Physics [© AIP Publishing]. It is also available at: http://dx.doi.org/10.1063/1.4929752
Sponsor: The authors are grateful to RCUK for financial support through the SuperSolar Hub (EPSRC Grant No.EP/J017361/1). The research at Bath has been supported by the EPSRC (Grant No. EP/K016288/1 and EP/M009580/1). This work benefited from access to both the University of Bath's High Performance Computing Facility and ARCHER, the UK's national high-performance computing service, which is funded by the Offi ce of Science and Technology through EPSRC's High End Computing Programme (Grant No. EP/L000202).
Version: Published
DOI: 10.1063/1.4929752
URI: https://dspace.lboro.ac.uk/2134/19060
Publisher Link: http://dx.doi.org/10.1063/1.4929752
ISSN: 1089-7550
Appears in Collections:Published Articles (Mechanical, Electrical and Manufacturing Engineering)

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