Negative magnetoresistance and spin filtering of spin-coupled di-iron-oxo clusters

Article

关键词: ELECTRONIC-STRUCTURE;    SUSCEPTIBILITY;    SPINTRONICS;    TRANSPORT;    CROSSOVER;    GEOMETRY;    MODEL;    STATE;   

DOI  :  10.1103/PhysRevB.89.235414

来源: SCIE

【 摘 要 】

Spin-dependent transport has been computationally studied for an open-shell singlet di-iron-oxo cluster. Currents and magnetoresistances have been investigated as a function of spin state within the nonequilibrium Green's function approach. The applied bias can be used to tune the sign of the observed magnetoresistance. A colossal magnetoresistance has been determined for hydrogen anchoring. Applied biases lower than 0.3 V, in conjunction with sulfur anchoring, induce a negative magnetoresistance due to lowering of the anchor-scatterer tunneling barrier. The di-iron-oxo cluster displays nearly perfect spin filtering for parallel alignment of the iron magnetic moments due to the energetic proximity, relative to the Fermi level, of its highest occupied molecular orbitals.

【 授权许可】

Free