拓扑晶体绝缘体的五边形纳米线:本征核壳纳米线和高阶拓扑的平台

IF 6.6 2区 材料科学 Q1 CHEMISTRY, PHYSICAL
Ghulam Hussain, Giuseppe Cuono, Piotr Dziawa, Dorota Janaszko, Janusz Sadowski, Slawomir Kret, Bogusława Kurowska, Jakub Polaczyński, Kinga Warda, Shahid Sattar, Carlo M. Canali, Alexander Lau, Wojciech Brzezicki, Tomasz Story and Carmine Autieri
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引用次数: 0

摘要

我们报告了利用分子束外延技术通过实验实现的具有 [110] 取向的 Pb1-xSnxTe 五角形纳米线(NWs)。通过第一性原理计算,我们研究了 SnTe 和 PbTe 在三种不同结构相:立方、[001] 取向的五边形和[110] 取向的五边形纳米线中的结构稳定性。通过半经典方法,我们发现离子键和共价键之间的相互作用有利于五边形 NW 的形成。此外,我们还发现这种五边形结构在碲化物中比在硒化物中更容易出现。偏离和孪生边界导致源自 NW 核心区域的电子态产生一个连接价带和导带的导电带,从而形成了对称强化的金属相。在Sn和Te孪晶边界的情况下,金属核带具有相反的斜率,而来自外壳的带则是绝缘的。最后,我们研究了五边形 NWs 的电子和拓扑特性,揭示了它们作为高阶拓扑和分数电荷新平台的潜力。这些五边形 NW 代表了一种独特的本征核壳一维纳米结构,其核与壳区域之间具有不同的结构、电子和拓扑特性。
本文章由计算机程序翻译,如有差异,请以英文原文为准。

Pentagonal nanowires from topological crystalline insulators: a platform for intrinsic core–shell nanowires and higher-order topology†

Pentagonal nanowires from topological crystalline insulators: a platform for intrinsic core–shell nanowires and higher-order topology†

We report on the experimental realization of Pb1−xSnx Te pentagonal nanowires (NWs) with [110] orientation using molecular beam epitaxy techniques. Using first-principles calculations, we investigate the structural stability of NWs of SnTe and PbTe in three different structural phases: cubic, pentagonal with [001] orientation and pentagonal with [110] orientation. Within a semiclassical approach, we show that the interplay between ionic and covalent bonds favors the formation of pentagonal NWs. Additionally, we find that this pentagonal structure is more likely to occur in tellurides than in selenides. The disclination and twin boundary cause the electronic states originating from the NW core region to generate a conducting band connecting the valence and conduction bands, creating a symmetry-enforced metallic phase. The metallic core band has opposite slopes in the cases of Sn and Te twin boundaries, while the bands from the shell are insulating. We finally study the electronic and topological properties of pentagonal NWs unveiling their potential as a new platform for higher-order topology and fractional charge. These pentagonal NWs represent a unique case of intrinsic core–shell one-dimensional nanostructures with distinct structural, electronic and topological properties between the core and the shell region.

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来源期刊
Nanoscale Horizons
Nanoscale Horizons Materials Science-General Materials Science
CiteScore
16.30
自引率
1.00%
发文量
141
期刊介绍: Nanoscale Horizons stands out as a premier journal for publishing exceptionally high-quality and innovative nanoscience and nanotechnology. The emphasis lies on original research that introduces a new concept or a novel perspective (a conceptual advance), prioritizing this over reporting technological improvements. Nevertheless, outstanding articles showcasing truly groundbreaking developments, including record-breaking performance, may also find a place in the journal. Published work must be of substantial general interest to our broad and diverse readership across the nanoscience and nanotechnology community.
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