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Electronic structure and hybridization effects in the compounds Al2Ru and Ga2Ru

โœ Scribed by D.Nguyen Manh; G.Trambly de Laissardiere; J.P. Julien; D. Mayou; F. Cyrot-Lackmann

Publisher
Elsevier Science
Year
1992
Tongue
English
Weight
361 KB
Volume
82
Category
Article
ISSN
0038-1098

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## Abstract For Abstract see ChemInform Abstract in Full Text.

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The metal-versus-semiconductor behavior of ruthenium pyrochlores A 2 Ru 2 O 7ุŠy was examined by calculating their electronic band structures. This behavior is explained in terms of the Mott-Hubbard mechanism of electron localization. The width of the t 2g -block bands of A 2 Ru 2 O 7ุŠy increases wit