Valences of Cu in Y1-x Cax Ba2 Cu3 O6+y
WU Zhi-jian, MENG Qing-bo, ZHANG Si-yuan
Changchun Institute of Applied Chemistry, Chinese Academy of Sciences, Changchun 130022
Valences of Cu in Y1-x Cax Ba2 Cu3 O6+y
WU Zhi-jian;MENG Qing-bo;ZHANG Si-yuan
Changchun Institute of Applied Chemistry, Chinese Academy of Sciences, Changchun 130022
关键词 ：
74.62.Dh ,
74.72.Bk
Abstract ： The valences of Cu in Y1-x Cax Ba2 Cu3 O6+y have been investigated by using complex chemical bond theory. The results for the valences of Cu(1) and Cu(2) in the calculation suggest that the holes introduced by calcium substitution only reside in CuO2 planes, and there is a competition mechanism for the hole density in CuO2 planes between Ca doping and oxygen depletion. These conclusions are satisfactorily in agreement with experiments.
Key words ：
74.62.Dh
74.72.Bk
出版日期: 1998-07-01
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1998, Vol. 15 
