Pure spin current modulation via Fano resonance in a copper-coordinated single-molecule junction

The generation of pure spin current is a highly sought-after objective in spintronics as it holds significant promise for enabling high-performance spintronic devices with low power consumption and high circuit integration density. However, achieving pure spin current at the single-molecule level remains a formidable challenge. In this study, we demonstrate a novel approach to generate pure spin current through spin Fano resonance in a p-Ben-CuII molecule. Our results reveal that the spin-down Fano resonance in p-Ben-CuII is associated with the β-HOMO, while the spin-up Fano resonance originates from the α-HOMO. Furthermore, by precisely tuning the chemical potential to align with the resonance peak, a well-defined pure spin current can be achieved under specific chemical potential or temperature conditions. This strategy offers a promising pathway for the precise manipulation of pure spin current in single-molecule junctions, paving the way for advanced spintronic applications.