Pure spin currents induced by asymmetric H-passivation in B3C2P3 nanoribbons.

Abstract

Inspired by the recently reported novel two-dimensional material B3C2P3, we performed one-dimensional shearing along the zigzag direction to obtain four B3C2P3 nanoribbons with various edge atom combinations. An asymmetric hydrogen passivation scheme was employed to modulate the electronic properties and successfully open the band gap, especially the 2H-1H passivation with dihydrogenation and monohydrogenation at the top and bottom edges, respectively, achieving bipolar magnetic semiconductors with edge P-atoms contributing to the main magnetism. Furthermore, three crucial spin-polarized transmission spectra yielded a significant spin-dependent Seebeck effect (SDSE), displaying superior thermoelectric conversion capabilities by generating pure spin currents. Our work shows that this asymmetric H-passivation effectively enables the enhancement of the spin caloritronic transport properties of the B3C2P3, which is of great significance for the exploitation of novel materials and their applications in spintronics.