化学学报 ›› 1997, Vol. 55 ›› Issue (7): 655-658. 上一篇    下一篇

研究论文

卤代PNNO的磁性及相变温度

路慧哲;仇永清;赵成大;傅强   

  1. 东北师范大学化学系
  • 发布日期:1997-07-15

Magnetism and ferromagnetic transition temperature of X-substituted PNNO

LU HUIZHE;QIU YONGQING;ZHAO CHENGDA;FU QIANG   

  • Published:1997-07-15

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。

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 (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.

Key words: ELECTRONIC STRUCTURE, MAGNETISM

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