Valences of Cu in Y_(1-x)Ca_(x)Ba_(2)Cu_(3)O_(6+y)

作     者：WU Zhi-jian MENG Qing-bo ZHANG Si-yuan 武志坚;孟庆波;张思远

作者机构：Changchun Institute of Applied ChemistryChinese Academy of SciencesChangchun 130022 

出 版 物：《Chinese Physics Letters》 (中国物理快报（英文版）)

年 卷 期：1998年第15卷第7期

页      面：528-529页

核心收录：

学科分类：081704[工学-应用化学] 07[理学] 070304[理学-物理化学(含∶化学物理)] 08[工学] 0817[工学-化学工程与技术] 0703[理学-化学] 

主　　题：theory valence satis 

摘      要：The valences of Cu in Y_(1-x)Ca_(x)Ba_(2)Cu_(3)O_(6+y) have been investigated by using complex chemical bond *** results for the valences of Cu(1)and Cu(2)in the calculation suggest that the holes introduced by calcium substitution only reside in CuO_(2) planes,and there is a competition mechanism for the hole density in CuO_(2) planes between Ca doping and oxygen *** conclusions are satisfactorily in agreement with experiments.