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arXiv 2103.13035cond-mat.mtrl-sci
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块状晶体中的隐塞曼型自旋极化

Hidden Zeeman-type spin polarization in bulk crystals

Shan Guan, Jun-Wei Luo, Shu-Shen Li, Alex Zunger

摘要:

探索被忽视的潜在效应,因为名义上的全球晶体对称性,但确实是可见的固态材料一直是一个迷人的研究课题最近。在这里,我们介绍了一种新的隐藏的塞曼型自旋极化(HZSP)的大块晶体与亚晶格结构。在这些晶体的动量空间中,在某个平面中形成的双简并带可以表现出具有垂直于该平面的相反自旋取向的均匀自旋配置,而这种简并态在空间上分离在一对实空间扇区中。有趣的是,我们发现HZSP可以在中心对称和非中心对称材料中表现出来。我们进一步证明了非对称的二重螺旋旋转对称性在HZSP形成中的重要作用。此外,两个代表性的材料实例,即,中心对称的WSe $_2$和非中心对称的BaBi $_4$ O $_7$通过第一性原理计算被识别为显示HZSP。因此,我们的发现不仅为隐藏的自旋极化研究开辟了新的视角,而且大大拓宽了自旋电子学应用的材料范围。

英文摘要:

Exploring hidden effects that have been overlooked given the nominal global crystal symmetry but are indeed visible in solid-state materials has been a fascinating subject of research recently. Here, we introduce a novel hidden Zeeman-type spin polarization (HZSP) in nonmagnetic bulk crystals with sublattice structures. In the momentum space of these crystals, the doubly degenerate bands formed in a certain plane can exhibit a uniform spin configuration with opposite spin orientations perpendicular to this plane, whereas such degenerate states are spatially separated in a pair of real-space sectors. Interestingly, we find that HZSP can manifest itself in both centrosymmetric and non-centrosymmetric materials. We further demonstrate the important role of nonsymmorphic twofold screw-rotational symmetry played in the formation of HZSP. Moreover, two representative material examples, i.e., centrosymmetric WSe$_2$ and noncentrosymmetric BaBi$_4$O$_7$, are identified to show HZSP via first-principles calculations. Our finding thus not only opens new perspectives for hidden spin polarization research but also significantly broadens the range of materials towards spintronics applications.

机构、总结、中文摘要均由AI分析而来,可能存在错误,请以论文正文为准。

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