| Tl_2Ba_2CaCu_2O_8超导体的能带结构及其与晶体中氧缺位的关系 |
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| 引用本文： | 刘坚. Tl_2Ba_2CaCu_2O_8超导体的能带结构及其与晶体中氧缺位的关系[J]. 苏州科技学院学报(社会科学版), 1992, 0(Z2) |
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| 作者姓名： | 刘坚 |
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| 作者单位： | 铁道师院化学系 |
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| 摘 要： | 本文利用EHT(Extended Huckel Method)紧束缚能带计算方法,计算了Tl_2Ba_2CaCu_2O_8在晶体中三种不同氧缺位条件下的电子能带,讨论了晶体中不同氧缺位对该超导体的能带结构,体系总能量,总态密度和Cu—O面上Cu和O的电荷分布的影响,指出这三种氧缺位结构都有可能存在于该超导体中,并且对超导电性的贡献是相同的。
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| 关 键 词： | Tl_2Ba_2CaCu_2O_8 超导体 晶体缺陷 能带结构 |
Band Structure and Its Relation to the Crystal Defect of Oxygen in the TI_2Ba_2CaCu_2O_8 Superconductor |
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| Liu Jian. Band Structure and Its Relation to the Crystal Defect of Oxygen in the TI_2Ba_2CaCu_2O_8 Superconductor[J]. Journal of University of Science and Technology of Suzhou:Social Science, 1992, 0(Z2) |
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| Authors: | Liu Jian |
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| Affiliation: | Department of Chemistry |
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| Abstract: | The band structures on the three different types of oxygen defect in the Tl2Ba2CaCu2O8 superconductor have been calculated by using the EHT tight-binding energy band calculation method. The influences of the three types of oxygen defect on the band structures, the average energy of the crystal, the total density of states and the charge distribution of the Cu and O in Cu-O plane are discussed. The calculation results show that the three types of oxygen defect may exist in this material. The contributions for the superconductivity of these different types of oxygen defect are the same in Tl2Ba2CaCu2O8superconductor. |
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| Keywords: | Tl_2Ba_2CaCu_2O_2 Superconductor Crystal defect Band structure |
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