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

IF 2.9 3区 化学 Q3 CHEMISTRY, PHYSICAL
Jing-Jing He, Jia-Bei Dong, Ling-Xiao Liu, Qin-Yue Cao, Jun-Yi Gu, Ying Zhang, Min Hua, Jia-Ren Yuan and Xiao-Hong Yan
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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.

Abstract Image

Abstract Image

B3C2P3纳米带非对称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,我们沿着之字形方向进行一维剪切,得到了4条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调制电子性质并成功打开带隙,特别是在顶部和底部边缘分别进行二氢化和一氢化的2H-1H钝化,获得了边缘p原子贡献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著的自旋相关塞贝克效应(SDSE),通过产生纯自旋电流显示出优越的热电转换能力。我们的工作表明,这种不对称h钝化有效地增强了B3C2P3的自旋热电子输运性质,这对于开发新型材料及其在自旋电子学中的应用具有重要意义。
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来源期刊
Physical Chemistry Chemical Physics
Physical Chemistry Chemical Physics 化学-物理:原子、分子和化学物理
CiteScore
5.50
自引率
9.10%
发文量
2675
审稿时长
2.0 months
期刊介绍: Physical Chemistry Chemical Physics (PCCP) is an international journal co-owned by 19 physical chemistry and physics societies from around the world. This journal publishes original, cutting-edge research in physical chemistry, chemical physics and biophysical chemistry. To be suitable for publication in PCCP, articles must include significant innovation and/or insight into physical chemistry; this is the most important criterion that reviewers and Editors will judge against when evaluating submissions. The journal has a broad scope and welcomes contributions spanning experiment, theory, computation and data science. Topical coverage includes spectroscopy, dynamics, kinetics, statistical mechanics, thermodynamics, electrochemistry, catalysis, surface science, quantum mechanics, quantum computing and machine learning. Interdisciplinary research areas such as polymers and soft matter, materials, nanoscience, energy, surfaces/interfaces, and biophysical chemistry are welcomed if they demonstrate significant innovation and/or insight into physical chemistry. Joined experimental/theoretical studies are particularly appreciated when complementary and based on up-to-date approaches.
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