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- W2033802181 abstract "Lithium niobate is a material with many important technological applications, and some of these applications are enhanced by doping the material with trivalent transition metal ions. This paper presents a computational analysis of the doping of lithium niobate by Sc, Cr, Fe and In. It is found that the preferred doping mechanism for Sc, Cr and Fe is a self-compensation mechanism (simultaneous substitution of the dopant at the Li and Nb sites), except for In, which shows a slight preference for substitution at the Nb5+ site with Nb–Li antisite compensation at 0 K. Cr and Fe doping have been studied experimentally, and the experimental findings support the predictions of the calculations regarding optimal doping sites in the material." @default.
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- W2033802181 date "2007-12-10" @default.
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- W2033802181 title "Computer modelling of trivalent metal dopants in lithium niobate" @default.
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- W2033802181 doi "https://doi.org/10.1088/0953-8984/20/03/035201" @default.
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