Mikaeilzadeh Leila, Khoeini Farhad, Tavana Ali
Department of Physics, University of Zanjan, P.O. Box 45195-313, Zanjan, Iran.
AMDM Lab., Department of Physics, University of Mohaghegh Ardabili, Ardabil, Iran.
Sci Rep. 2025 Jul 12;15(1):25226. doi: 10.1038/s41598-025-11191-8.
Magnetism plays a crucial role in advanced technologies and fundamental materials science. Among various magnetic materials, compounds incorporating rare earth elements with non-collinear magnetic orders have garnered significant attention. In this study, we investigate different magnetic orders in Pr(Ni, Pt)Bi compounds using density functional theory (DFT), incorporating the Hubbard on-site interaction for the Pr atom. The results indicate that the antiferromagnetic (AFM) order is the most stable phase in these compounds, with an energy several meV lower than the considered non-collinear orders. Furthermore, band inversion, a characteristic feature of topological properties, is observed in both cases. We also assess the distance-dependent exchange interactions within these structures. The findings have significant implications for the development of advanced spintronic devices, magnetic sensors, and novel magnetic materials with topological properties, paving the way for innovative applications in modern technology.
磁性在先进技术和基础材料科学中起着至关重要的作用。在各种磁性材料中，包含具有非共线磁序的稀土元素的化合物受到了广泛关注。在本研究中，我们使用密度泛函理论（DFT）研究了Pr(Ni, Pt)Bi化合物中的不同磁序，并考虑了Pr原子的哈伯德在位相互作用。结果表明，反铁磁（AFM）序是这些化合物中最稳定的相，其能量比所考虑的非共线序低几个meV。此外，在这两种情况下都观察到了能带反转，这是拓扑性质的一个特征。我们还评估了这些结构中距离依赖的交换相互作用。这些发现对先进自旋电子器件、磁传感器以及具有拓扑性质的新型磁性材料的开发具有重要意义，为现代技术中的创新应用铺平了道路。
