Flat-band ferromagnetism proposed for an organic polymer crystal

Details Flat-band ferromagnetism proposed for an organic polymer crystal Flat-band ferromagnetism proposed for an organic polymer crystal

2003-08-08

arxiv.org/abs/cond-mat/0308156v1

Physics

Condensed Matter

Strongly Correlated Electrons

4 pages, 5 figures

Scientific paper

Motivated from the flat-band ferromagnetism conceived theoretically for a single chain of five membered rings (polyaminotriazole) by Arita {\it et al.}, [Phys. Rev. Lett. {\bf 88}, 127202 (2002)], we have studied whether the magnetism can indeed occur as a bulk, i.e., in a three-dimensional crystal of the polymer, by means of the spin density functional calculation. We find that the intra-chain ferromagnetism is robust against crystallization as far as the flat band is made half-filled. We have further investigated the actual crystal doped with various compounds, where HF$_2$ is shown to put the system close to the bulk ferromagnetism while stronger anions such as BF$_4$ or PF$_6$ should be promising.

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