| 密度泛函理论的电负性均衡值与稀土氧化物超导性 |
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| 引用本文： | 王鸿江,杜小旺,黄光静. 密度泛函理论的电负性均衡值与稀土氧化物超导性[J]. 渝西学院学报(自然科学版), 2007, 0(2) |
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| 作者姓名： | 王鸿江 杜小旺 黄光静 |
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| 作者单位： | 重庆师范大学化学学院 重庆沙坪坝400047 |
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| 基金项目： | 重庆市教育科学技术研究项目(040806) |
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| 摘 要： | 提出确定稀土氧化物中元素电负性均衡值X_(cq)的计算公式,并用该式计算了200多种稀土氧化物超导体的电负性均衡值X_(cq),得出了稀土氧化物的超导性与稀土氧化物电负性均衡值之间的关系．结果表明,稀土氧化物超导体的电负性均衡值X_(cq)多数集中在1．654～2．650之间,而电负性均衡值在此范围之外的稀土氧化物一般不具有超导性．因此,电负性均衡值X_(cq)可作为稀土氧化物超导性的新的经验判据,这对进一步探讨稀土氧化物的超导机制有一定意义．
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| 关 键 词： | 电负性 稀土氧化物 超导性 密度泛函理论 |
Study on the Correlation Between Equalized Electron Affinities Based on the Density Functional Theory and Superconductivity of Rare Earth Oxide |
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| WANG Hong Jiang DU Xiao-wang Huang Guang-jing. Study on the Correlation Between Equalized Electron Affinities Based on the Density Functional Theory and Superconductivity of Rare Earth Oxide[J]. , 2007, 0(2) |
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| Authors: | WANG Hong Jiang DU Xiao-wang Huang Guang-jing |
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| Abstract: | A formula used to calculate the equalized hardness of rare earth oxide(X_(oq))was proposed.The X_(oq) values of 252 rare earth oxide superconductors have been calculated with this formula.The correlation between equalized hardness and superconductivity was found.The result shows that the X_(oq)values of all rare earth oxide superconductors concentrate in a narrow range from 1.654 to 2.650 and that the rare earth oxide with values out this region would be non-superconductive.It is clear that this result is of benefit to inquire the mechanism of superconductivity. |
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| Keywords: | electron affinities rare earth oxide superconductivity density functional theory |
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