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arxiv: 1010.5663 · v1 · pith:UTQWXRS7new · submitted 2010-10-27 · ❄️ cond-mat.mes-hall

CoIr-carbon complexes with magnetic anisotropies larger than 0.2 eV: a density-functional-theory prediction

classification ❄️ cond-mat.mes-hall
keywords atomcarboncoirdimermagneticaboveadsorbedanisotropies
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We report a density-functional study of the heteronuclear CoIr dimer adsorbed on benzene or graphene. In either case CoIr prefers an upright position above the center of a carbon hexagon with the Co atom next to it. The Ir atom stays away from the carbon ring and thus preserves its free-atom-like properties. This results in a very large magnetic anisotropy of more than 0.2 eV per dimer. So high a value should suffice for long-term data storage at the temperature of liquid nitrogen.

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