| Bi2Sr2CuO6的电子结构和铜氧对间电荷涨落 |
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| 引用本文： | 陈学安,陈雅芳,傅亨,唐有祺,朱敏慧,施雁阳.Bi2Sr2CuO6的电子结构和铜氧对间电荷涨落[J].物理化学学报,1990,6(4):385-388. |
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| 作者姓名： | 陈学安 陈雅芳 傅亨 唐有祺 朱敏慧 施雁阳 |
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| 作者单位： | Institute of Chemistry, Institute of Electronics, Academia Sinica, Beijing |
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| 摘 要： | 自发现含铋铜氧化物的高温超导性以来,采用各种复杂程度方法对电子结构的计算已经在文献中报道.它们集中讨论了能带结构,态密度和Fermi面的性质,但很少报道铜氧对间的电荷涨落。而价态变动对超导电性起着至关重要的作用,因此本文对Bi_2Sr_2CuO_6进行了紧束缚带计算,探讨了电子缺陷和氧呼吸式振动对铜和氧电荷分布的影响。
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| 关 键 词： | 超导体 Bi2Sr2CuO6 电子结构 |
| 收稿时间： | 1990-01-24 |
| 修稿时间： | 1990-03-20 |
Electronic Structure and Charge Fluctuation in Bi2Sr2CuO6 |
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| 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(4):385-388. |
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| Authors: | Chen Xue-An Chen Ya-Fang Fu Heng Tang You-Qi Zhu Min-Hui Shi Yan-Yang |
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| Institution: | Institute of Chemistry, Institute of Electronics, Academia Sinica, Beijing |
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| Abstract: | 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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