A Radical Polymer as a Two-Dimensional Organic Half Metal
SCIE
SCOPUS
- Title
- A Radical Polymer as a Two-Dimensional Organic Half Metal
- Authors
- Lee, EC; Choi, YC; Kim, WY; Singh, NJ; Lee, S; Shim, JH; Kim, KS
- Date Issued
- 2010-10
- Publisher
- WILEY-V C H VERLAG GMBH
- 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-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.
- Keywords
- graphene; molecular modeling; organic half metals; organic electronics; radicals; ZIGZAG GRAPHENE NANORIBBONS; INITIO MOLECULAR-DYNAMICS; TOTAL-ENERGY CALCULATIONS; WAVE BASIS-SET; SPIN TRANSPORT; CARBON NANOTUBE; MAGNETORESISTANCE; SPINTRONICS; FILMS; METALLICITY
- URI
- https://oasis.postech.ac.kr/handle/2014.oak/25282
- DOI
- 10.1002/CHEM.201000858
- ISSN
- 0947-6539
- Article Type
- Article
- Citation
- CHEMISTRY-A EUROPEAN JOURNAL, vol. 16, no. 40, page. 12141 - 12146, 2010-10
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- There are no files associated with this item.
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