A Radical Polymer as a Two-Dimensional Organic Half Metal

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Given that half-metals are promising futuristic materials for spintronics, organic materials showing half-metal character are highly desirable for spintronic devices, not only owing to their weak spin-orbit and hyperfine interactions, but also their light and flexible properties. We predict that a two-dimensional organic 2,4,6-tri-(1,3,5-tri-azinyl)methyl radical polymer has half-metallic properties as well as a spontaneous magnetic ordering at ambient temperature. The quantum transmission is studied based on the nonequilibrium Green function theory coupled with density functional theory. The half-metallic property in the triazine-based polymer depends mainly on the nature of the p-band in contrast to of conventional half metals in which the nature of the d-band is more important.
Publisher
WILEY-V C H VERLAG GMBH
Issue Date
2010
Language
English
Article Type
Article
Keywords

ZIGZAG GRAPHENE NANORIBBONS; INITIO MOLECULAR-DYNAMICS; TOTAL-ENERGY CALCULATIONS; WAVE BASIS-SET; SPIN TRANSPORT; CARBON NANOTUBE; MAGNETORESISTANCE; SPINTRONICS; FILMS; METALLICITY

Citation

CHEMISTRY-A EUROPEAN JOURNAL, v.16, no.40, pp.12141 - 12146

ISSN
0947-6539
DOI
10.1002/chem.201000858
URI
http://hdl.handle.net/10203/97710
Appears in Collection
CH-Journal Papers(저널논문)
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