超窄硼罗芬纳米带异质结的自旋过滤和整流行为

IF 3.1 3区材料科学 Q2 MATERIALS SCIENCE, MULTIDISCIPLINARY

Computational Materials Science Pub Date : 2025-04-14 DOI:10.1016/j.commatsci.2025.113898

Yang Song, Zi-Han Niu, En-Fei Xing, Wen-Shuo Liu, Chuan-Kui Wang, Gang Chen, Guang-Ping Zhang

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引用次数: 0

摘要

利用密度泛函理论结合非平衡格林函数方法，研究了三种超窄硼罗芬纳米带异质结的自旋分辨输运性质。结果表明，在特定的异质结构中可以实现86%的自旋滤波行为和超过103的高整流率的整流行为。通过分析自旋分辨能带结构、电子轨道分辨胖带结构、透射光谱、布洛赫波函数和透射本征态，阐明了其机理。研究发现，在偏压作用下，两个电极上子带的排列和子带的布洛赫波函数的对称性是决定这些有趣物理现象的关键因素。该研究为利用超窄硼罗芬纳米带设计高性能多功能自旋电子器件提供了理论见解和指导。

本文章由计算机程序翻译，如有差异，请以英文原文为准。

Spin filtering and rectifying behaviors in the super narrow borophene nanoribbon heterojunctions

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Spin filtering and rectifying behaviors in the super narrow borophene nanoribbon heterojunctions

By using density functional theory combined with nonequilibrium Green’s function method, we explore the spin-resolved transport properties of three super narrow borophene nanoribbon heterojunctions. Results show that significant spin-filtering behavior with 86% spin polarization and rectifying behavior with high rectification ratios over 10³ can be realized in a specific heterostructure. The underlying mechanisms are elucidated by analyzing the spin resolved band structures, electronic orbital resolved fat band structures, transmission spectra, Bloch wave functions and transmission eigenstates. It is found that the alignment of the subbands in two electrodes under biases and the symmetry of Bloch wave functions of subbands play crucial roles in determining these interesting physical phenomena. This study provides theoretical insights and guidance for the design of high-performance multifunctional spintronic devices utilizing super narrow borophene nanoribbons.

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来源期刊

Computational Materials Science 工程技术-材料科学：综合

CiteScore

6.50

自引率

6.10%

发文量

665

审稿时长

26 days

期刊介绍： The goal of Computational Materials Science is to report on results that provide new or unique insights into, or significantly expand our understanding of, the properties of materials or phenomena associated with their design, synthesis, processing, characterization, and utilization. To be relevant to the journal, the results should be applied or applicable to specific material systems that are discussed within the submission.