Electrically Tunable Ultraflat Bands and π-Electron Magnetism in Graphene Nanoribbons

IF 4.6 2区 化学 Q2 CHEMISTRY, PHYSICAL The Journal of Physical Chemistry Letters Pub Date : 2025-02-07 DOI:10.1021/acs.jpclett.5c00121
Ruize Ma, Nikita V. Tepliakov, Arash A. Mostofi, Michele Pizzochero
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Abstract

Atomically thin crystals hosting flat electronic bands have recently been identified as a rich playground for exploring and engineering strongly correlated phases. Yet, their variety remains limited, primarily to two-dimensional moiré superlattices. Here, we predict the formation of reversible, electrically induced ultraflat bands and π-electron magnetism in one-dimensional chevron graphene nanoribbons. Our ab initio calculations show that the application of a transverse electric field to these nanoribbons generates a pair of isolated, nearly perfectly flat bands with widths of approximately 1 meV around the Fermi level. Upon charge doping, these flat bands undergo a Stoner-like electronic instability, resulting in the spontaneous emergence of local magnetic moments at the edges of the otherwise nonmagnetic nanoribbon, akin to a one-dimensional spin-1/2 chain. Our findings expand the class of carbon-based nanostructures exhibiting flat bands and establish a novel route for inducing correlated electronic phases in chevron graphene nanoribbons.

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石墨烯纳米带的电可调谐超平带和π-电子磁性
拥有平坦电子带的原子薄晶体最近被确定为探索和工程强相关相的丰富游乐场。然而,它们的种类仍然有限,主要是二维摩尔超晶格。在这里,我们预测了可逆的,电诱导的超平坦带和π-电子磁性在一维v形石墨烯纳米带的形成。我们的从头计算表明,在这些纳米带上施加横向电场会在费米能级周围产生一对孤立的、几乎完全平坦的带,宽度约为1 meV。在电荷掺杂后,这些平带经历了类似斯通纳的电子不稳定性,导致在非磁性纳米带边缘自发出现局部磁矩,类似于一维自旋1/2链。我们的研究结果扩展了具有平坦带的碳基纳米结构的类别,并建立了在v形石墨烯纳米带中诱导相关电子相的新途径。
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来源期刊
The Journal of Physical Chemistry Letters
The Journal of Physical Chemistry Letters CHEMISTRY, PHYSICAL-NANOSCIENCE & NANOTECHNOLOGY
CiteScore
9.60
自引率
7.00%
发文量
1519
审稿时长
1.6 months
期刊介绍: The Journal of Physical Chemistry (JPC) Letters is devoted to reporting new and original experimental and theoretical basic research of interest to physical chemists, biophysical chemists, chemical physicists, physicists, material scientists, and engineers. An important criterion for acceptance is that the paper reports a significant scientific advance and/or physical insight such that rapid publication is essential. Two issues of JPC Letters are published each month.
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