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.

中文翻译：

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B3C2P3 纳米带中不对称 H 钝化诱导的纯自旋电流


受最近报道的新型二维材料 B₃C₂P₃ 的启发，我们沿锯齿形方向进行了一维剪切，获得了四个具有不同边缘原子组合的 B₃C₂P₃ 纳米带。采用不对称氢钝化方案来调制电子性能并成功打开带隙，尤其是顶部和底部边缘分别具有二氢化和一氢化的 2H-1H 钝化，实现了边缘 P 原子为主磁性的双极磁性半导体。此外，三个关键的自旋极化透射光谱产生了显着的自旋依赖性塞贝克效应 （SDSE），通过产生纯自旋电流显示出卓越的热电转换能力。我们的工作表明，这种不对称的 H-钝化有效地增强了 B₃C₂P₃ 的自旋热传输特性，这对于新型材料的开发及其在自旋电子学中的应用具有重要意义。