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Madelung energy and hole location in YBa2Cu4O8

Ramasesha, Sheela K and Jacob, Thomas K (1991) Madelung energy and hole location in YBa2Cu4O8. In: Journal of Materials Chemistry, 1 (3). pp. 477-478.

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The Madelung energy of YBa2Cu4O8 has been computed for different locations of the hole in the structure. The lowest-energy configuration corresponds to partial localization of the hole on O(1) and O(11) sites.

Item Type: Editorials/Short Communications
Publication: Journal of Materials Chemistry
Publisher: Royal Society of Chemistry
Additional Information: Copyright of this article belongs to Royal Society of Chemistry.
Keywords: Coulomb interaction;Madelung potential;Valence fluctuation; Mixed valence;Hole location.
Department/Centre: Division of Mechanical Sciences > Materials Engineering (formerly Metallurgy)
Date Deposited: 23 Nov 2010 10:10
Last Modified: 23 Nov 2010 10:10
URI: http://eprints.iisc.ac.in/id/eprint/33956

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