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CrTe、FeS 和 MnO 中面向表面的交变磁态探索:第一性原理研究

Exploration of surface oriented altermagnetic states in CrTe, FeSband MnO: a first-principles study.

作者信息

Gauswami Apeksha, Jha Prafulla K

机构信息

Department of Physics, Faculty of Science, The Maharaja Sayajirao University of Baroda, Vadodara 390002, Gujarat, India.

出版信息

J Phys Condens Matter. 2025 Jul 23;37(30). doi: 10.1088/1361-648X/adeef6.

Abstract

The present work explores the influence of altermagnetism (AM) on the electronic structure of materials, specifically focusing on the emergence of non-relativistic spin splitting. We demonstrate that the-path dependence of altermagnetic spin splitting in the 3D Brillouin zone exhibits distinct altermagnetic surface states due to specific surface orientations. We considered three types of crystal systems (hexagonal, orthorhombic and tetragonal), to unveil the altermagnetic properties of these surface states. We calculated the two-dimensional projected Brillouin zones from the bulk and analyzed the interaction between these surface Brillouin zones and the k-dependent spin splitting. This analysis identifies the surfaces where opposite-sign spin splitting merges, nullifying AM and the surfaces where AM is preserved. Our investigation across the three principal surface orientations reveals that for several cases, two surfaces exhibit blindness to the AM, while the remaining surface retains altermagnetic properties. This dependence on surface orientation is further influenced by the specific magnetic order within the material. Finally, we demonstrate that the density of states of the majority and minority spins then governs the tunneling magnetoresistance. Additionally, we have calculated a anomalous Hall conductivity within density functional theory. Therefore, our work provides a framework for understanding and tailoring surface related AM, paving the way for potential applications in spintronics and modern quantum techniques.

摘要

本工作探讨交变磁性(AM)对材料电子结构的影响,特别关注非相对论性自旋分裂的出现。我们证明,由于特定的表面取向,三维布里渊区中交变磁自旋分裂的路径依赖性表现出独特的交变磁表面态。我们考虑了三种晶体系统(六方、正交和四方),以揭示这些表面态的交变磁特性。我们从体材料计算二维投影布里渊区,并分析这些表面布里渊区与k依赖的自旋分裂之间的相互作用。该分析确定了相反符号自旋分裂合并从而消除交变磁性的表面以及交变磁性得以保留的表面。我们对三个主要表面取向的研究表明,在几种情况下,两个表面对交变磁性不敏感,而其余表面保留交变磁特性。这种对表面取向的依赖性还受到材料内部特定磁序的进一步影响。最后,我们证明多数和少数自旋的态密度决定了隧穿磁电阻。此外,我们在密度泛函理论内计算了反常霍尔电导率。因此,我们的工作为理解和调控与表面相关的交变磁性提供了一个框架,为自旋电子学和现代量子技术的潜在应用铺平了道路。

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