Open AccessA PRIMARY MODEL INVESTIGATION OF ORGANIC FERROMAGNETS
Author(s) -
Wu Chang-Qin,
Yu Zhong Zhang,
Ruigang Fu,
Xiaofeng Sun
Publication year - 1999
Publication title -
wuli xuebao
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.199
H-Index - 47
ISSN - 1000-3290
DOI - 10.7498/aps.48.713
Subject(s) - polyacetylene , radical , ferromagnetism , ab initio , materials science , charge density wave , electron , condensed matter physics , chemical physics , molecular physics , computational chemistry , physics , organic chemistry , chemistry , quantum mechanics , doping , superconductivity
By using a simple tight-binding model,we study the magnetic properties of the substituted polyacetylene with lateral radicals R*.It includes the effects of π electron hopping between the alternate radicals and associated carbons on the bond order wave along the polyacetylene chain,the formation of charge density wave,and the effects of next-nearest-neighbor hoppings and electronic interactions.Our results are compared with and used to understand the ab initio calculations on the organic ferromagnet(C3H3)n,substituted polyacetylene with lateral radical R* as the organic segment CH2.