2003/08/08 by Ryotaro Arita, Arita, Ryotaro, Yuji Suwa +5
Physics and Astronomy · #FOS: Physical sciences #Materials Science (cond-mat.mtrl-sci) #Strongly Correlated Electrons (cond-mat.str-el) #cond-mat.mtrl-sci #cond-mat.str-el
paper · pdf · doi:10.48550/arxiv.cond-mat/0308156
4 pages, 5 figures
arxiv created 2003/08/08 · arxiv updated 2009/12/01
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 HF2 is shown to put the system close to the bulk ferromagnetism while stronger anions such as BF4 or PF6 should be promising.