Spin-dependent thermoelectronic transport of a single molecule magnet Mn(dmit){sub 2}
- State Key Laboratory of Surface Physics and Key Laboratory for Computational Physical Sciences (MOE) and Department of Physics, Fudan University, Shanghai 200433 (China)
- College of Physics and Electronic Engineering and Institute of Computational Materials Design, Henan Normal University, Xinxiang 453007 (China)
We investigate spin-dependent thermoelectronic transport properties of a single molecule magnet Mn(dmit){sub 2} sandwiched between two Au electrodes using first-principles density functional theory combined with nonequilibrium Green's function method. By applying a temperature difference between the two Au electrodes, spin-up and spin-down currents flowing in opposite directions can be induced due to asymmetric distribution of the spin-up and spin-down transmission spectra around the Fermi level. A pure spin current and 100% spin polarization are achieved by tuning back-gate voltage to the system. The spin caloritronics of the molecule with a perpendicular conformation is also explored, where the spin-down current is blocked strongly. These results suggest that Mn(dmit){sub 2} is a promising material for spin caloritronic applications.
- OSTI ID:
- 22304338
- Journal Information:
- Journal of Chemical Physics, Vol. 140, Issue 20; Other Information: (c) 2014 AIP Publishing LLC; Country of input: International Atomic Energy Agency (IAEA); ISSN 0021-9606
- Country of Publication:
- United States
- Language:
- English
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