skip to main content

SciTech ConnectSciTech Connect

Title: A tunable amorphous p-type ternary oxide system: The highly mismatched alloy of copper tin oxide

The approach of combining two mismatched materials to form an amorphous alloy was used to synthesise ternary oxides of CuO and SnO{sub 2}. 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.
Authors:
;  [1] ; ;  [2]
  1. CREST, School of Electronic, Electrical and Systems Engineering, Loughborough University, Loughborough, Leicestershire LE11 3TU (United Kingdom)
  2. Centre for Sustainable Technologies and Department of Chemistry, University of Bath, Claverton Down, Bath BA2 7AY (United Kingdom)
Publication Date:
OSTI Identifier:
22489480
Resource Type:
Journal Article
Resource Relation:
Journal Name: Journal of Applied Physics; Journal Volume: 118; Journal Issue: 10; Other Information: (c) 2015 AIP Publishing LLC; Country of input: International Atomic Energy Agency (IAEA)
Country of Publication:
United States
Language:
English
Subject:
36 MATERIALS SCIENCE; 71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSICS; ALLOYS; COPPER OXIDES; DENSITY FUNCTIONAL METHOD; ELECTRIC CONDUCTIVITY; ELECTRONIC STRUCTURE; FILMS; MOBILITY; OPACITY; SIMULATION; TIN OXIDES