A Radical Polymer as a Two-Dimensional Organic Half Metal

作者：Lee Eun Cheol; Choi Young Cheol; Kim Woo Youn; Singh N Jiten; Lee Sik; Shim Ji Hoon; Kim Kwang S^*

来源：Chemistry - A European Journal, 2010, 16(40): 12141-12146.

DOI：10.1002/chem.201000858

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

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.

• 出版日期2010