4.6 Article

A Radical Polymer as a Two-Dimensional Organic Half Metal

期刊

CHEMISTRY-A EUROPEAN JOURNAL
卷 16, 期 40, 页码 12141-12146

出版社

WILEY-V C H VERLAG GMBH
DOI: 10.1002/chem.201000858

关键词

graphene; molecular modeling; organic half metals; organic electronics; radicals

资金

  1. NRF
  2. NRF, GRL
  3. NRF, WCU [R32-2008-000-10180-0]
  4. NRF, EPB [2009-0063312]
  5. KISTI [KCS-2008K08-0002]

向作者/读者索取更多资源

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.

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