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 films show a sharp reduction in both transparency and electrical resistivity with copper contents greater than 50%. Simulations indicate that 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.
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14 September 2015
Research Article|
September 09 2015
A tunable amorphous p-type ternary oxide system: The highly mismatched alloy of copper tin oxide
Patrick J. M. Isherwood;
Patrick J. M. Isherwood
a)
1CREST, School of Electronic, Electrical and Systems Engineering,
Loughborough University
, Loughborough, Leicestershire LE11 3TU, United Kingdom
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Keith T. Butler;
Keith T. Butler
2Centre for Sustainable Technologies and Department of Chemistry,
University of Bath
, Claverton Down, Bath BA2 7AY, United Kingdom
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Aron Walsh;
Aron Walsh
2Centre for Sustainable Technologies and Department of Chemistry,
University of Bath
, Claverton Down, Bath BA2 7AY, United Kingdom
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John M. Walls
John M. Walls
1CREST, School of Electronic, Electrical and Systems Engineering,
Loughborough University
, Loughborough, Leicestershire LE11 3TU, United Kingdom
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Patrick J. M. Isherwood
1,a)
Keith T. Butler
2
Aron Walsh
2
John M. Walls
1
1CREST, School of Electronic, Electrical and Systems Engineering,
Loughborough University
, Loughborough, Leicestershire LE11 3TU, United Kingdom
2Centre for Sustainable Technologies and Department of Chemistry,
University of Bath
, Claverton Down, Bath BA2 7AY, United Kingdom
a)
Electronic mail: [email protected]
J. Appl. Phys. 118, 105702 (2015)
Article history
Received:
May 30 2015
Accepted:
August 17 2015
Citation
Patrick J. M. Isherwood, Keith T. Butler, Aron Walsh, John M. Walls; A tunable amorphous p-type ternary oxide system: The highly mismatched alloy of copper tin oxide. J. Appl. Phys. 14 September 2015; 118 (10): 105702. https://doi.org/10.1063/1.4929752
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