探索方形-八角形晶格的电子特性和量子电容,以实现先进的电子和储能应用

IF 2.9 3区 化学 Q3 CHEMISTRY, PHYSICAL
Erfan Norian, Mona Abdi, Bandar Astinchap
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引用次数: 0

摘要

本文利用Hubbard模型(HM)和Green函数研究了不同外部参数(包括跳频、磁通和现场库仑斥力)下方形八角形晶格的电子特性和量子电容。分析表明,通过调整跳变参数比值t2/t1,该晶格可以表现出可调谐的电子行为,在半导体、金属和绝缘状态之间转换。具体来说,当t2=t1和t2=3t1时,材料保持半导体性质,而当t2=2t1时,材料表现为金属性质。磁通的应用减小了t2=t1和t2=3t1时的带隙,增大了t2=2t1时的带隙。在所有情况下,磁通量也会改变平带的位置。此外,增加OSCRI(从0.5 eV增加到1.5 eV)会导致能级分裂,破坏简并态的对称性,并使带隙变宽。量子电容受这些参数的影响较大,峰值强度随磁通量的增加而减小,并向负栅电位方向移动。结果突出了方形八边形晶格在电子状态和电荷存储能力方面的可调性,使其成为纳米电子学和能量存储设备中有希望的应用候选者,其中精确控制电子特性是必不可少的。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
Exploring the Electronic Properties and Quantum Capacitance of the Square-Octagon Lattice for Advanced Electronic and Energy Storage Applications
This study investigates the square-octagon lattice electronic properties and quantum capacitance under various external parameters, including hopping amplitudes, magnetic flux, and on-site Coulomb repulsion (OSCRI) by using the Hubbard model (HM) and Green function. The analysis reveals that the lattice can exhibit tunable electronic behaviors, transitioning between semiconducting, metallic, and insulating states by adjusting the hopping parameter ratio t2/t1. Specifically, for t2=t1 and t2=3t1, the material remains semiconducting, while for t2=2t1, it behaves as a metal. The application of magnetic flux reduces the band gap for t2=t1 and t2=3t1 while increasing it for t2=2t1. Magnetic flux also shifts the flat band’s position in all cases. Additionally, increasing the OSCRI (from 0.5 eV to 1.5 eV) leads to energy level splitting, breaking the symmetry of degenerate states, and widening the band gap. The quantum capacitance is strongly influenced by these parameters, with the peak intensity decreasing with increasing magnetic flux and shifting toward negative gate potentials. The results highlight the square-octagon lattice tunability in both electronic states and charge storage capabilities, making it a promising candidate for applications in nanoelectronics and energy storage devices where precise control over electronic properties is essential.
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来源期刊
Physical Chemistry Chemical Physics
Physical Chemistry Chemical Physics 化学-物理:原子、分子和化学物理
CiteScore
5.50
自引率
9.10%
发文量
2675
审稿时长
2.0 months
期刊介绍: Physical Chemistry Chemical Physics (PCCP) is an international journal co-owned by 19 physical chemistry and physics societies from around the world. This journal publishes original, cutting-edge research in physical chemistry, chemical physics and biophysical chemistry. To be suitable for publication in PCCP, articles must include significant innovation and/or insight into physical chemistry; this is the most important criterion that reviewers and Editors will judge against when evaluating submissions. The journal has a broad scope and welcomes contributions spanning experiment, theory, computation and data science. Topical coverage includes spectroscopy, dynamics, kinetics, statistical mechanics, thermodynamics, electrochemistry, catalysis, surface science, quantum mechanics, quantum computing and machine learning. Interdisciplinary research areas such as polymers and soft matter, materials, nanoscience, energy, surfaces/interfaces, and biophysical chemistry are welcomed if they demonstrate significant innovation and/or insight into physical chemistry. Joined experimental/theoretical studies are particularly appreciated when complementary and based on up-to-date approaches.
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