三明治型酞菁的5f电子诱导自旋输运

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

Solid State Communications Pub Date : 2025-07-04 DOI:10.1016/j.ssc.2025.116063

Lu Xu , Ding Wang , Xiaobo Yuan , Dongfa Lan , Yu Zhu , Xiaobo Li , Weiyu Xie

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引用次数: 0

摘要

集成电路的快速发展凸显了对新型自旋电子器件设计的迫切需求。三明治型酞菁分子以其独特的电、磁性能，在自旋电子领域显示出巨大的应用潜力。锕系元素由于其5f电子的强相互作用，可以诱导各种奇异的自旋输运效应。本文采用非平衡格林函数方法结合密度泛函理论（NEGF-DFT）研究了锕系夹层酞菁分子U(Pc)2的自旋输运性质。电子结构分析表明，铀原子的5f电子主导其前沿轨道行为。输运特性分析表明，当偏置电压超过0.4 V时，由于自旋向上电子传输峰的增加，电流显著增加，这主要是由5f电子贡献的。我们的结果强调了U(Pc)2的自旋输运中U-5f电子的主导作用。本研究旨在为锕系酞菁分子自旋电子器件的开发提供有益的帮助。

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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5f electron induced spin transport by sandwich-type phthalocyanine

The rapid development of integrated circuits highlights the critical need for novel spintronic device designs. Sandwich-type phthalocyanine molecules, with their unique electrical and magnetic properties, show great potential in spintronic applications. Actinide elements, due to the strong interaction of their 5f electrons, can induce various exotic spin transport effects. In this study, we employed the non-equilibrium Green's function method combined with density functional theory (NEGF-DFT) to investigate the spin transport properties of the actinide sandwich phthalocyanine molecule U(Pc)₂. Electronic structure analysis indicates that the 5f electrons of uranium atom dominate its frontier orbital behavior. Transport property analyses reveal that when the bias voltage exceeds 0.4 V, the current increases significantly, due to an increase in the spin-up electron transmission peak, primarily contributed by 5f electrons. Our results underscore the dominant role of U-5f electrons in the spin transport of U(Pc)₂. This study aims to provide beneficial assistance for the development of actinide phthalocyanine molecular spintronic devices.

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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.