Some Factors Governing Ag+ and Cu+ Low C
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Etienne Gaudin; Florent Boucher; Michel Evain
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Article
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2001
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Elsevier Science
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English
β 475 KB
The factors in6uencing the low coordination of Cu Ψ and Ag Ψ d 10 cations in chalcogenides are analyzed by means of FLAPW band structure calculations. The study shows that the metal s/d orbital mixing is the predominant factor, in agreement with most previous research reports. It also quantitatively