THEORETICAL-STUDY ON FERROMAGNETIC INTERACTION IN STACKED DIPHENYLCARBENE POLYMER

被引：7
作者：
TANAKA, K
TAKEUCHI, T
YOSHIZAWA, K
TORIUMI, M
YAMABE, T
机构：
[1] KYOTO UNIV,FAC ENGN,DIV MOLEC ENGN,SAKYO KU,KYOTO 606,JAPAN
[2] INST FUNDAMENTAL CHEM,SAKYO KU,KYOTO 606,JAPAN
来源：
SYNTHETIC METALS | 1991年 / 44卷 / 01期
关键词：
D O I：
10.1016/0379-6779(91)91852-2
中图分类号：
T [工业技术];
学科分类号：
08 ;
摘要：
The electronic structure and the magnetic property of stacked diphenylcarbene polymer have been theoretically studied using the unrestricted Hartree-Fock crystal orbital method. It has been revealed that the ferromagnetic interplane interaction is anticipated for the translation pitch angles of theta = 60-degrees and 180-degrees to give ferromagnetic array throughout the polymer in contrast with the antiferromagnetic interaction for theta = 120-degrees. Furthermore, more realistic polymer conformation based on the observed polycrystalline structure of diphenylcarbene derivatives was also examined.
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页码：1 / 8
页数：8
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