Gate-Tunable Spin Seebeck Effect and Pure Spin Current Generation in Molecular Junctions Based on Bipolar Magnetic Molecules

Generating pure spin currents is very desirable in spintronics, as it provides a promising way to substantially reduce Joule heating and achieve ultrahigh integration density. However, to date, most spintronic devices exhibit spin currents that are accompanied by charge currents. The generation of pure spin currents on the nanoscale, particularly at the single-molecule level, remains challenging. Here, we propose that by exploiting our recently reported bipolar magnetic molecules (BMMs) as the core component of single-molecule devices, where the highest occupied molecular orbital (HOMO) and lowest unoccupied molecular orbital (LUMO) come from different spin channels, the generation of pure spin currents can be easily realized via the spin Seebeck effect (SSE) with applied temperature gradient. Moreover, the spin Seebeck coefficient can be modulated over a wide range by applying an external gate voltage. The proposal is verified through first-principles calculations on two BMM-based molecular junctions.