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Covalency of Сu—О Bonds in R123, R124, and Y247 (R = Rare Earth)

Z. J. Wu, S. Y. Zhang, and H. J. Zhang

Laboratory of Rare Earth Chemistry and Physics, Changchun Institute of Applied Chemistry, Chinese Academy of Sciences, Changchun 130022, P. R. China

 

E-mail: zjwu@chem.wayne.edu

Abstract: The covalency of Cu-O bonds in La0.5R0.5Ba2Cu3O7 (R = Pr, Nd, Sm, Eu, Gd, Dy, Y, He, Er, Tm, Yb, Lu), Pr0.5R0.5Ba2Cu3O7 (R = La, Nd, Sm, Eu, Gd, Dy, Ho, Y, Er, Tm, Yb, Lu), RBa2Cu3O7 (R = Pr, Sm, Eu, Gd, Dy, Y, Ho, Er, Tm), and Y2Ba4Cu7O14.3 Was calculated using the complex crystal chemical bond theory. The result indicated that the bond covalency in CuO(2) plane was smaller than that in CuO chain in 123 and 124 systems. Based on our previous study, our result indicated that La0.5R0.5Ba2Cu3O7 and Pr0.5R0.5Ba2Cu3O7 are all superconductors. However, the nonsuperconducting behaviour of some of the title compounds indicated that further study is needed.

Full paper in Portable Document Format: 554a217.pdf

 

Chemical Papers 55 (4) 217–220 (2001)

Tuesday, April 16, 2024

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