Excitonic and magneto-optical effects in Kagome monolayer Nb3X8 (X= Cl, Br, and I)

IF 2.4 4区物理与天体物理 Q3 PHYSICS, CONDENSED MATTER

Solid State Communications Pub Date : 2025-06-21 DOI:10.1016/j.ssc.2025.116061

Mingju Shen

引用次数: 0

Abstract

Kagome monolayers, prized for their unique physical properties, have emerged as promising candidates for the fabrication of advanced functional devices. Here, we investigate excitonic effects and the magneto-optical Kerr effect in monolayer Nb₃X₈ (X = Cl, Br, I) by solving the Bethe-Salpeter equation on top of GW-corrected electronic structures. Our results reveal exceptionally high exciton binding energies in Nb₃X₈, exceeding those of transition metal dichalcogenides. Notably, Nb₃Cl₈ exhibits a binding energy of up to 1.137 eV, with its exciton wavefunction highly localized within a unit cell. Additionally, the halogen atom significantly influences the amplitude of the Kerr spectrum, and excitonic effects shift its energy threshold. These findings provide valuable insights into potential applications in optical and magneto-optical devices.

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Kagome单层Nb3X8 （X= Cl, Br，和I）的激子和磁光效应

Kagome单层膜因其独特的物理特性而备受推崇，已成为制造先进功能设备的有希望的候选者。本文通过在gw校正电子结构上求解Bethe-Salpeter方程，研究了单层Nb3X8 （X = Cl, Br， I）中的激子效应和磁光Kerr效应。我们的研究结果显示Nb3X8的激子结合能异常高，超过了过渡金属二硫族化合物。值得注意的是，Nb3Cl8的结合能高达1.137 eV，其激子波函数高度局域化。此外，卤素原子显著影响克尔谱的振幅，激子效应使其能量阈值发生偏移。这些发现为光学和磁光器件的潜在应用提供了有价值的见解。

本文章由计算机程序翻译，如有差异，请以英文原文为准。

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来源期刊

Solid State Communications 物理-物理：凝聚态物理

CiteScore

3.40

自引率

4.80%

发文量

287

审稿时长

51 days

期刊介绍： Solid State Communications is an international medium for the publication of short communications and original research articles on significant developments in condensed matter science, giving scientists immediate access to important, recently completed work. The journal publishes original experimental and theoretical research on the physical and chemical properties of solids and other condensed systems and also on their preparation. The submission of manuscripts reporting research on the basic physics of materials science and devices, as well as of state-of-the-art microstructures and nanostructures, is encouraged. A coherent quantitative treatment emphasizing new physics is expected rather than a simple accumulation of experimental data. Consistent with these aims, the short communications should be kept concise and short, usually not longer than six printed pages. The number of figures and tables should also be kept to a minimum. Solid State Communications now also welcomes original research articles without length restrictions. The Fast-Track section of Solid State Communications is the venue for very rapid publication of short communications on significant developments in condensed matter science. The goal is to offer the broad condensed matter community quick and immediate access to publish recently completed papers in research areas that are rapidly evolving and in which there are developments with great potential impact.