| Literature DB >> 20839182 |
Eun Cheol Lee1, Young Cheol Choi, Woo Youn Kim, N Jiten Singh, Sik Lee, Ji Hoon Shim, Kwang S Kim.
Abstract
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-triazinyl)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.Entities:
Year: 2010 PMID: 20839182 DOI: 10.1002/chem.201000858
Source DB: PubMed Journal: Chemistry ISSN: 0947-6539 Impact factor: 5.236