CrTe, fesb2和MnO2表面取向的互磁态探索:第一性原理研究。

Apeksha Gauswami, Prafulla K Jha
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摘要

本研究探讨了电磁对材料电子结构的影响,特别关注了非相对论性自旋分裂的出现。我们证明了在三维布里渊区中,由于特定的表面取向,磁自旋分裂的路径依赖表现出不同的磁表面态。我们考虑了三种类型的晶体系统(六角形,正交和四角形),以揭示这些表面状态的电磁特性。我们计算了块体的二维投影布里渊区,并分析了这些表面布里渊区与k依赖自旋分裂之间的相互作用。该分析确定了反号自旋分裂合并的表面,消除了电磁和保留了电磁的表面。我们对三种主要表面取向的研究表明,在一些情况下,两个表面对电磁不可见,而其余表面保留了电磁特性。这种对表面取向的依赖进一步受到材料内特定磁性顺序的影响。最后,我们证明了多数自旋和少数自旋的态密度决定了隧穿磁阻(TMR)。此外,我们还计算了密度泛函理论中的异常霍尔电导率。因此,我们的工作为理解和调整与表面相关的电磁学提供了一个框架,为自旋电子学和现代量子技术的潜在应用铺平了道路。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
Exploration of surface oriented altermagnetic states in CrTe, FeSb2and MnO2: a first-principles study.

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 thek-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.

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