Engineering Spin Splitting in Antiferromagnets by Superatoms with Internal Degrees of Freedom

IF 9.1 1区材料科学 Q1 CHEMISTRY, MULTIDISCIPLINARY

Nano Letters Pub Date : 2025-10-08 DOI:10.1021/acs.nanolett.5c04171

Fengxian Ma, Zeying Zhang, Zhen Gao, Xiaobei Wan, Yandong Ma, Yalong Jiao, Shengyuan A. Yang

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Abstract

Superatoms, stable atomic clusters acting as building blocks for new materials, offer unique opportunities due to their rich properties and potential for 2D material assembly. While their similarities to atoms have been extensively studied, their internal degrees of freedom (IDOFs) remain underexplored. Concurrently, compensated antiferromagnets (AFMs) with spin-split band structures have emerged as a promising class of materials for spintronics, yet their experimental realization, particularly in two dimensions, is limited. We propose a novel strategy to engineer spin-split AFMs by using superatoms with IDOFs. We demonstrate how superatom IDOFs can manipulate the system symmetry to induce spin splitting in AFM states. First-principles calculations on Mo-decorated carborophene, built from closo-carborane superatoms, show that distinct IDOFs (electric-dipole-like and nematic) dictate the 2D crystal’s symmetry and spin-splitting patterns. This highlights the unique role of superatom IDOFs, absent in ordinary atoms, and establishes a new paradigm for designing advanced spintronic and quantum materials.

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具有内自由度的超原子在反铁磁体中的工程自旋分裂

超原子，稳定的原子团簇作为新材料的构建块，由于其丰富的性质和二维材料组装的潜力，提供了独特的机会。虽然它们与原子的相似性已被广泛研究，但它们的内部自由度（IDOFs）仍未得到充分探索。与此同时，具有自旋分裂带结构的补偿反铁磁体（AFMs）已成为自旋电子学中很有前途的一类材料，但它们的实验实现，特别是在二维空间中，是有限的。我们提出了一种利用带有IDOFs的超原子来设计自旋分裂原子力显微镜的新策略。我们演示了超原子IDOFs如何操纵系统对称性来诱导AFM态的自旋分裂。由近碳硼烷超原子构建的mo修饰碳硼烯的第一性原理计算表明，不同的IDOFs（电偶极子和向列）决定了二维晶体的对称性和自旋分裂模式。这突出了超原子IDOFs在普通原子中不存在的独特作用，并为设计先进的自旋电子和量子材料建立了新的范例。

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

Nano Letters 工程技术-材料科学：综合

CiteScore

16.80

自引率

2.80%

发文量

1182

审稿时长

1.4 months

期刊介绍： Nano Letters serves as a dynamic platform for promptly disseminating original results in fundamental, applied, and emerging research across all facets of nanoscience and nanotechnology. A pivotal criterion for inclusion within Nano Letters is the convergence of at least two different areas or disciplines, ensuring a rich interdisciplinary scope. The journal is dedicated to fostering exploration in diverse areas, including: - Experimental and theoretical findings on physical, chemical, and biological phenomena at the nanoscale - Synthesis, characterization, and processing of organic, inorganic, polymer, and hybrid nanomaterials through physical, chemical, and biological methodologies - Modeling and simulation of synthetic, assembly, and interaction processes - Realization of integrated nanostructures and nano-engineered devices exhibiting advanced performance - Applications of nanoscale materials in living and environmental systems Nano Letters is committed to advancing and showcasing groundbreaking research that intersects various domains, fostering innovation and collaboration in the ever-evolving field of nanoscience and nanotechnology.