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Publication

Title:Chemical bonding in copper-based transparent conducting oxides: CuMO2 (M = In, Ga, Sc)
Authors:K G Godinho, B J Morgan, J P Allen, D O Scanlon and G W Watson, 2011
Abstract: The geometry and electronic structure of copper-based p-type delafossite transparent conducting oxides, CuMO2 (M = In, Ga, Sc), are studied using the generalized gradient approximation (GGA) corrected for on-site Coulomb interactions (GGA + U). The bonding and valence band compositions of these materials are investigated, and the origins of changes in the valence band features between group 3 and group 13 cations are discussed. Analysis of the effective masses at the valence and conduction band edge explains the experimentally reported conductivity trends.
ICHEC Project:Electronic Structure Studies of Transparent Semiconductors
Publication:Journal of Physics: Condensed Matter, Volume 23, Number 33, 2011
URL: http://iopscience.iop.org/0953-8984/23/33/334201/
Status: Published

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