González J W, León A M, González-Fuentes C, Gallardo R A
Departamento de Física, Universidad de Antofagasta, Av. Angamos 601, Casilla 170, Antofagasta, Chile.
Departamento de Física, Facultad de Ciencias, Universidad de Chile, Casilla 653, Santiago, Chile.
Nanoscale. 2025 Feb 20;17(8):4796-4807. doi: 10.1039/d4nr04053h.
We propose and characterize a novel two-dimensional material, 2D-CRO, derived from bulk calcium-based ruthenates (CROs) of the Ruddlesden-Popper family, CaRuO ( = 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 -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.
我们提出并表征了一种新型二维材料2D-CRO，它源自Ruddlesden-Popper家族的块状钙基钌酸盐（CROs），即CaRuO（ = 1和2）。利用密度泛函理论，我们证明2D-CRO在单层极限下仍保持结构稳定性，展现出结构与电子性质之间的紧密相互作用。值得注意的是，2D-CRO表现出交替磁性行为，其特征是净磁化强度为零且有强烈的自旋相关现象，通过维度降低得以稳定。这种稳定性是通过沿 轴打破反演对称性实现的，即使在没有范德华相互作用的情况下也有利于交替磁性性质。通过理论模型和计算分析，我们探究了有自旋轨道耦合和无自旋轨道耦合时2D-CRO的交替磁性行为。我们确定了对交替磁性特征有贡献的自旋分量，并强调了2D-CRO作为研究交替磁性现象和拓扑特征的有前景材料的潜力。
