By performing density functional theory (DFT) calculations, we demonstrate that periodically repeating heterostructures of zigzag borophene nanoribbons (BNR) of different widths can form stable borophene superlattice (BSL). The energy band structures of BSL can be modulated through modifying the width and length of the segments. A metal-semiconductor transition can be obtained when the length of each segment is lengthened, whereas, the magnetism of BSL is influenced by the width of the segments. In those magnetic systems, the magnetic moments are mainly localized on protruding B atoms located at the edge, while no magnetic moments occur in the center B atoms. The hydrogenated BNR and BSL are further investigated. The hydrogenation can modify the electronic properties of BNR and BSL as well as quench the magnetism. All hydrogenated BNR and BSL are non-magnetic. Our results indicate that great potential exists in these systems for borophene utilization in nanoelectronics and spintronics.

中文翻译：

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基于锯齿形纳米带的硼烯超晶格能带工程：DFT研究

通过进行密度泛函理论（DFT）计算，我们证明了不同宽度的锯齿形硼烯纳米带（BNR）的周期性重复异质结构可以形成稳定的硼烯超晶格（BSL）。BSL的能带结构可以通过修改段的宽度和长度来调制。当每个片段的长度加长时，可以获得金属-半导体过渡，而BSL的磁性受片段宽度的影响。在这些磁系统中，磁矩主要集中在位于边缘的突出的 B 原子上，而在中心的 B 原子中没有发生磁矩。进一步研究了氢化的 BNR 和 BSL。加氢可以改变 BNR 和 BSL 的电子特性以及淬灭磁性。所有氢化的 BNR 和 BSL 都是非磁性的。我们的结果表明，这些系统在纳米电子学和自旋电子学中利用硼烯具有巨大潜力。