| 卤代PNNO的磁性及相变温度 |
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| 引用本文： | 路慧哲,仇永清,赵成大,傅强.卤代PNNO的磁性及相变温度[J].化学学报,1997,55(7):655-658. |
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| 作者姓名： | 路慧哲 仇永清 赵成大 傅强 |
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| 作者单位： | 东北师范大学化学系 |
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| 基金项目： | 国家自然科学基金资助项目 |
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| 摘 要： | 采用量子化学GAUSSIAN 92 UHF PM3方法对卤素取代的PNNO进行研究, 讨论了它的磁性及电子结构, 并用自旋波理论预测了其二聚物的磁性相变温度(Tc), 与用同样方法得到的对位硝基取代的PNNO相变温度比较, 发现卤代PNNO有更高的相变温度。
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| 关 键 词： | 电子结构 磁性 相转变温度 自旋波理论 PNNO |
Magnetism and ferromagnetic transition temperature of X-substituted PNNO |
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| LU HUIZHE,QIU YONGQING,ZHAO CHENGDA,FU QIANG.Magnetism and ferromagnetic transition temperature of X-substituted PNNO[J].Acta Chimica Sinica,1997,55(7):655-658. |
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| Authors: | LU HUIZHE QIU YONGQING ZHAO CHENGDA FU QIANG |
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| Abstract: | Magnetism and ferromagnetic transition temperature (Tc) of X-substituted PNNO have been investigated by using quantum chemical GAUSSIAN 92 UHF PM3 method and spin wave theory. Study of nitro group substituted PNNO (p-NPNN) showed that X-substituted PNNO has higher Tc than p-NPNN. |
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| Keywords: | ELECTRONIC STRUCTURE MAGNETISM |
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