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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 shu

Effect of Structural Mudulation on Electronic Structure of Bi₂Sr₂CuO₆

1.
Institute of Chemistry, Institute of Electronics, Academia Sinica, Beijing 100080

Received Date: 28 March 1991
Available Online: 15 August 1991

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.
- Bi₂Sr₂CuO₆; Electronic structure; Tight-binding band calculations
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Effect of Structural Mudulation on Electronic Structure of Bi2Sr2CuO6

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Effect of Structural Mudulation on Electronic Structure of Bi₂Sr₂CuO₆