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New Building Blocks for Molecular Spintronics


Spin-dependent conduction properties have been predicted for a new class of molecular clusters. Electronic structure calculations on iron-containing clusters which, in their ground state, display anti-ferromagnetic ordering have predicted a number of remarkable electronic transport properties. Prof. Rodriguez in collaboration with R-N Wang and W-M Liu from the Chinese Academy of Sciences have performed state of the art calculations based on spin density functional theory and the non-equilibrium Green's function method. More details can be found in their recent publication [R. Wang, J.H. Rodriguez and W-M Liu, PRB Vol 89, 235414 (2014)].


(a) Antiferromagnetic Di-iron cluster. (b) Energy difference between antiferromagnetic and ferromagnetic states. (c) Di-iron cluster interacting with gold electrodes via thiol linkers.