Exchange interactions in the 1T-VSe2 monolayer and their modulation via electron doping using alkali metal adsorption and the electride substrate,Materials Horizons

当前位置： X-MOL 学术 › Mater. Horiz. › 论文详情

Our official English website, www.x-mol.net, welcomes your feedback! (Note: you will need to create a separate account there.)

Exchange interactions in the 1T-VSe2 monolayer and their modulation via electron doping using alkali metal adsorption and the electride substrate
Materials Horizons ( IF 12.2 ) Pub Date : 2022-08-22 , DOI: 10.1039/d2mh00888b
Jiawei Jiang ₁ , Rui Li ₁ , Wenbo Mi ₁

Affiliation

The modulation of exchange interactions in layered magnets has fundamental research value and potential applications in spintronics. Based on first-principles calculations, the exchange interactions in the experimentally controversial room-temperature ferromagnetic 1T-VSe₂ monolayer are systematically studied. It is found that three shells of nearest-neighbor Heisenberg exchange interactions and higher-order interactions are crucial for an accurate description of the magnetism and its thermal stability in the 1T-VSe₂ monolayer. Based on our understanding of tuning the magnetic interactions and the magnetic ground state in the 1T-VSe₂ monolayer via external factors, two modulation methods, involving adsorption of the alkali metal lithium and the electride Ca₂N substrate, are proposed. In both Li-VSe₂ and VSe₂/Ca₂N systems, the strongly frustrated Heisenberg exchange interaction competes with the Dzyaloshinskii–Moriya interaction and magnetocrystalline anisotropy, leading to complex magnetic ground states, such as antiferromagnetic spin spiral and periodic antiferromagnetic cycloidal states. Moreover, the higher-order exchange interactions play a crucial role in the stabilization of long-range double-row-wise antiferromagnetic states in Li-VSe₂ and VSe₂/Ca₂N. These results highlight the effective manipulation of exchange interactions in two-dimensional magnets.

中文翻译：

1T-VSe2 单层中的交换相互作用及其通过使用碱金属吸附和电子衬底的电子掺杂进行的调制

层状磁体中交换相互作用的调制在自旋电子学中具有基础研究价值和潜在应用。基于第一性原理计算，系统地研究了具有实验争议的室温铁磁1T-VSe ₂单层中的交换相互作用。发现最近邻海森堡交换相互作用和高阶相互作用的三个壳层对于准确描述 1T-VSe ₂单层中的磁性及其热稳定性至关重要。基于我们对调节 1T-VSe ₂单层通孔中的磁相互作用和磁基态的理解外部因素，提出了两种调制方法，包括碱金属锂的吸附和电子Ca ₂ N底物的吸附。在 Li-VSe ₂和 VSe ₂ /Ca ₂ N 系统中，强烈受挫的 Heisenberg 交换相互作用与 Dzyaloshinskii-Moriya 相互作用和磁晶各向异性竞争，导致复杂的磁基态，例如反铁磁自旋螺旋和周期性反铁磁摆线态。此外，高阶交换相互作用在稳定 Li-VSe ₂和 VSe ₂ /Ca _{2中的长程双排反铁磁态中起着至关重要的作用}N. 这些结果突出了二维磁体中交换相互作用的有效操纵。

更新日期：2022-08-22

点击分享查看原文

点击收藏

阅读更多本刊新发论文本刊介绍/投稿指南