| 关联效应对CaCuO2的电荷与自旋密度分布的影响 |
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| 引用本文： | 冯小兵.关联效应对CaCuO2的电荷与自旋密度分布的影响[J].大连铁道学院学报,2004,25(1):4-6. |
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| 作者姓名： | 冯小兵 |
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| 作者单位： | 大连铁道学院文理分院 辽宁大连116028 |
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| 摘 要： | 采用杂化密度泛函方法和哈垂一福克方法对CaCuO2的电荷与自旋密度的分布进行了研究．CuO2层的电子结构具有明显的二维特征．电子间的关联效应使Cu离子的自旋极化被削弱的同时，增强了O离子的自旋极化效应．
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| 关 键 词： | 关联效应 电荷密度 自旋密度 密度泛函 自旋极化效应 |
Effects of Correlation on the Charge and Spin Density of CaCuO_2 |
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| FENG Xiao-bing.Effects of Correlation on the Charge and Spin Density of CaCuO_2[J].Journal of Dalian Railway Institute,2004,25(1):4-6. |
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| Authors: | FENG Xiao-bing |
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| Abstract: | The Hartree Fock method and the hybrid density functional method were used to study the charge and spin density of CaCuO_2. The significant two dimensional character of the electronic structure of the CuO_2 plane was observed. The correlations causes the spin polarization weaker at the Cu site, while the spin polarization at O site is increased. |
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| Keywords: | correlation charge density spin density density functional |
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