引用本文:
陈学安, 傅亨, 唐有祺, 朱敏慧, 徐江. 结构调制对Bi2Sr2CuO6电子结构的影响[J]. 物理化学学报,
1991, 7(04): 396-399.
doi:
10.3866/PKU.WHXB19910404
Citation: Chen Xue-An, Fu Heng, Tang You-Qi, Zhu Min-Hui, Xu Jiang. Effect of Structural Mudulation on Electronic Structure of Bi2Sr2CuO6[J]. Acta Physico-Chimica Sinica, 1991, 7(04): 396-399. doi: 10.3866/PKU.WHXB19910404
Citation: Chen Xue-An, Fu Heng, Tang You-Qi, Zhu Min-Hui, Xu Jiang. Effect of Structural Mudulation on Electronic Structure of Bi2Sr2CuO6[J]. Acta Physico-Chimica Sinica, 1991, 7(04): 396-399. doi: 10.3866/PKU.WHXB19910404
结构调制对Bi2Sr2CuO6电子结构的影响
English
Effect of Structural Mudulation on Electronic Structure of Bi2Sr2CuO6
Abstract:
Tight-binding band calculations of the Extended Huckel type were performed on the modulated Bi_2Sr_2CuO_6 sublattice in contrast with those for the average structure. It is shown that the structural modulation weakens Bi-O autibonding interactions, leading to a splitting of Bi 6P states and a shift of Bi 6p-block bands toward lower energy region. Such a shift favors the formation of the electron pocket of the Bi 6p-block bands thereby strengthening the oxidation of the CuO2 sheets.
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