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Citation: Chen Xue-An, Chen Ya-Fang, Fu Heng, Tang You-Qi, Zhu Min-Hui, Shi Yan-Yang. Electronic Structure and Charge Fluctuation in Bi₂Sr₂CuO₆[J]. Acta Physico-Chimica Sinica, ;1990, 6(04): 385-388. doi: 10.3866/PKU.WHXB19900401 shu

Electronic Structure and Charge Fluctuation in Bi₂Sr₂CuO₆

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

Received Date: 24 January 1990
Available Online: 15 August 1990

Tight-binding band calculations were performed on Cu_2Bi_2O_8~(6-) and Cu_4O_(12)~(16-) complexes modelling the Bi_2Sr_2CuO_6 sublattice and CuO_2 sheet respectively. We investigate the effect of the oxidation and the planar-oxygen breathing-mode vibration on the d_(x~2-y~2) valence bands and Mulliken charge of Cu and O. The results show that the breathing mode causes the splitting of d_(x~2-y~2) bands at E_f and charge fluctuation between Cu-O complexes, the oxidation strengthenes the charge fluctuation, thereby favoring the formation of pairing.
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沈阳化工大学材料科学与工程学院沈阳 110142

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Electronic Structure and Charge Fluctuation in Bi2Sr2CuO6

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Electronic Structure and Charge Fluctuation in Bi₂Sr₂CuO₆