2013/06/19 by Ruining Wang, Rui-Ning Wang, Jorge H. Rodriguez +2
Chemistry · Engineering · Materials Science · Physics and Astronomy · #Chemistry #Cluster (spacecraft) #Colossal magnetoresistance #Condensed matter physics #Giant magnetoresistance #Magnetic field #Magnetic moment #Magnetism in coordination complexes #Magnetoresistance #Materials science #Molecular Junctions and Nanostructures #Physics #Porphyrin and Phthalocyanine Chemistry #Quantum mechanics #Quantum tunnelling #Spin (aerodynamics) #cond-mat.mes-hall
paper · pdf · doi:10.1103/physrevb.89.235414
published as Phys. Rev. B 89, 235414 (2014) · 5 pages, 6 figures
arxiv created 2013/06/19 · openalex publication_date 2014/06/12 · arxiv updated 2014/06/18 · openalex created_date 2025/10/10 · openalex updated_date 2026/08/06
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.