The bond ionicity in (R = Pr, Sm, Eu, Gd, Dy, Y, Ho, Er, Tm)
Q B Meng; Z J Wu; S Y Zhang; Q B Meng; Laboratory of Rare Earth Inorganic Materials, Changchun Institute of Applied Chemistry, Chinese Academy of Sciences, Changchun 130022, People's Republic of China; Z J Wu; Laboratory of Rare Earth Inorganic Materials, Changchun Institute of Applied Chemistry, Chinese Academy of Sciences, Changchun 130022, People's Republic of China; S Y Zhang; Laboratory of Rare Earth Inorganic Materials, Changchun Institute of Applied Chemistry, Chinese Academy of Sciences, Changchun 130022, People's Republic of China
Журнал:
Journal of Physics: Condensed Matter
Дата:
1998-02-09
Аннотация:
(R = Pr, Sm, Eu, Gd, Dy, Y, Ho, Er, Tm) has been studied using complex chemical bond theory. The results indicated that with the decreasing of R radius, the ionicities for all considered types of bond decrease. This is in good agreement with the experimental fact that decreases with the decreasing of R radius. with no Ba-site Pr in this calculation is also predicted to be a superconductor. This supports the conclusion obtained by Blackstead et al. The ionicity for each bond obeys the following order: Ba - O > R - O > Cu(2) - O(1) > Cu(2) - O(2,3) > Cu(1) - O(4) Cu(1) - O(1).
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