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石墨烯和平面金属量子点中的类似电子态。

Analogous electronic states in graphene and planer metallic quantum dots.

作者信息

Othman Ahmed M, Kher-Elden Mohammad A, Ibraheem Fatma, Hassan Moukhtar A, Farouk Mohammed, Abd El-Fattah Zakaria M

机构信息

Physics Department, Faculty of Science, Al-Azhar University, Nasr City, Cairo, 11884, Egypt.

Physics Department, Faculty of Science, Al-Azhar University Girls Branch, Nasr City, Cairo, 11753, Egypt.

出版信息

Sci Rep. 2024 Jun 12;14(1):13471. doi: 10.1038/s41598-024-63465-2.

Abstract

Graphene nanostructures offer wide range of applications due to their distinguished and tunable electronic properties. Recently, atomic and molecular graphene were modeled following simple free-electron scattering by periodic muffin tin potential leading to remarkable agreement with density functional theory. Here we extend the analogy of the -electronic structures and quantum effects between atomic graphene quantum dots (QDs) and homogeneous planer metallic counterparts of similar size and shape. Specifically, we show that at high binding energies, below the -point gap, graphene QDs enclose confined states and standing wave quasiparticle interference patterns analogous to those reported on coinage metal surfaces for nanoscale confining structures such as vacancy islands and quantum corrals. These confined and quantum corral-like states in graphene QDs can be resolved in tomography experiments using angle-resolved photoemission spectroscopy. Likewise, the shape of near-Fermi frontier orbitals in graphene quantum dots can be reproduced from electron confinement within homogeneous metal QDs of identical size and shape. Furthermore, confined states analogous to those found in metallic quantum stadiums can be realized in coupled QDs of graphene for reduced separation. The present study offer a simple fundamental understanding of graphene electronic structures and also open the way towards efficient modeling of novel graphene-based nanostructures.

摘要

由于其独特且可调节的电子特性,石墨烯纳米结构具有广泛的应用。最近,通过周期性 muffin tin 势的简单自由电子散射对原子和分子石墨烯进行了建模,这导致与密度泛函理论达成了显著的一致。在这里,我们扩展了原子石墨烯量子点(QDs)与尺寸和形状相似的均匀平面金属对应物之间的电子结构和量子效应的类比。具体而言,我们表明,在高于 Γ 点能隙的高结合能下,石墨烯量子点包含受限态和驻波准粒子干涉图案,类似于在硬币金属表面上报道的纳米级限制结构(如空位岛和量子围栏)的那些图案。石墨烯量子点中的这些受限和类似量子围栏的状态可以在使用角分辨光电子能谱的断层扫描实验中得到解析。同样,石墨烯量子点中近费米前沿轨道的形状可以从相同尺寸和形状的均匀金属量子点内的电子限制中重现。此外,对于减小的间距,可以在耦合的石墨烯量子点中实现类似于在金属量子体育场中发现的受限态。本研究提供了对石墨烯电子结构的简单基本理解,也为新型基于石墨烯的纳米结构的高效建模开辟了道路。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/3293/11169253/a8982f2dcf84/41598_2024_63465_Fig1_HTML.jpg

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