二维Ca2RuO4钙钛矿的电磁特性

IF 5.8 3区 材料科学 Q1 CHEMISTRY, MULTIDISCIPLINARY
Nanoscale Pub Date : 2025-01-23 DOI:10.1039/d4nr04053h
J. W. González, A. M. León, C. González-Fuentes, R. A. Gallardo
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引用次数: 0

摘要

我们提出并表征了一种新的二维材料,2D-CRO,源自Ruddlesden-Popper家族的体钙基钌酸盐(cro) Can+1RunO3n+1 (n = 1和2)。利用密度泛函理论,我们证明2D-CRO保持结构稳定性到单层极限,表现出结构和电子性能之间的紧密相互作用。值得注意的是,2D-CRO表现出零净磁化和强自旋依赖现象的变磁行为,并通过降维实现稳定。这种稳定性是通过打破沿z轴的反转对称来实现的,即使在没有范德华相互作用的情况下,也有利于变磁特性。通过理论模型和计算分析,研究了2D-CRO在有和没有自旋轨道耦合的情况下的交变行为。我们确定了有助于变磁特性的自旋组分,并强调了2D-CRO作为研究变磁现象和拓扑特征的有前途的材料的潜力。
本文章由计算机程序翻译,如有差异,请以英文原文为准。

Altermagnetism in two-dimensional Ca2RuO4 perovskite

Altermagnetism in two-dimensional Ca2RuO4 perovskite
We propose and characterize a novel two-dimensional material, 2D-CRO, derived from bulk calcium-based ruthenates (CROs) of the Ruddlesden–Popper family, Can+1RunO3n+1 (n = 1 and 2). Using density functional theory, we demonstrate that 2D-CRO maintains structural stability down to the monolayer limit, exhibiting a tight interplay between structural and electronic properties. Notably, 2D-CRO displays altermagnetic behavior, characterized by zero net magnetization and strong spin-dependent phenomena, stabilized through dimensionality reduction. This stability is achieved by breaking inversion symmetry along the z-axis, favoring altermagnetic properties even in the absence of van der Waals interactions. Through theoretical models and computational analysis, we explore the altermagnetic behavior of 2D-CRO, both with and without spin–orbit coupling. We identify the spin components that contribute to the altermagnetic character and highlight the potential of 2D-CRO as a promising material for investigating altermagnetic phenomena and topological features.
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来源期刊
Nanoscale
Nanoscale CHEMISTRY, MULTIDISCIPLINARY-NANOSCIENCE & NANOTECHNOLOGY
CiteScore
12.10
自引率
3.00%
发文量
1628
审稿时长
1.6 months
期刊介绍: Nanoscale is a high-impact international journal, publishing high-quality research across nanoscience and nanotechnology. Nanoscale publishes a full mix of research articles on experimental and theoretical work, including reviews, communications, and full papers.Highly interdisciplinary, this journal appeals to scientists, researchers and professionals interested in nanoscience and nanotechnology, quantum materials and quantum technology, including the areas of physics, chemistry, biology, medicine, materials, energy/environment, information technology, detection science, healthcare and drug discovery, and electronics.
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