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Ferromagnetic coupling in a two-dimensional Cairo pentagonal Ni2(TCNQ)2 lattice
Journal of Materiomics ( IF 8.4 ) Pub Date : 2021-11-25 , DOI: 10.1016/j.jmat.2021.11.011
Aizhu Wang 1 , Hongguang Wang 1 , Xiaopeng Wang 2 , Na Ren 1 , Longhua Ding 1 , Xin Yu 1 , Mingwen Zhao 3
Affiliation  

Magnetism has revolutionized important technologies, and continues to bring forth new phenomena in emergent materials and reduced dimensions. Here, using first-principles calculations, we demonstrate that the already-synthesized two-dimensional (2D) Ni-tetracyanoquinodimethane (Ni2(TCNQ)2) lattice is a stable ferromagnetism material with multiple spin-polarized Dirac cones. The conical bands in proximity of the Fermi level can be tuned by external tensile strain and show the fourfold degenerate electronic states at the critical tensile strain of ∼2.35 %, whose energy dispersion is consistent with 2D Cairo pentagonal lattice. In addition, spin-orbital coupling can open a band gap at the Dirac point of A, leading to topologically nontrivial electronic states characterized by the non-zero Chern number and the edge states of nanoribbon. Our results offer versatile platforms for the realization of massless spintronics with full-spin polarization in 2D Cairo pentagonal Ni2(TCNQ)2 Lattice.



中文翻译:

二维开罗五边形 Ni2(TCNQ)2 晶格中的铁磁耦合

磁性已经彻底改变了重要技术,并在新兴材料和缩小尺寸方面不断带来新现象。在这里,使用第一性原理计算,我们证明了已经合成的二维 (2D) Ni-四氰基醌二甲烷 (Ni 2 (TCNQ) 2) 晶格是具有多个自旋极化狄拉克锥的稳定铁磁性材料。费米能级附近的锥形带可以通过外部拉伸应变进行调节,并在 2.35% 的临界拉伸应变下显示出四倍简并电子态,其能量色散与二维开罗五角晶格一致。此外,自旋轨道耦合可以在 A 的狄拉克点打开一个带隙,从而产生以非零陈数和纳米带边缘态为特征的拓扑非平凡电子态。我们的结果为在二维开罗五角 Ni 2 (TCNQ) 2晶格中实现具有全自旋极化的无质量自旋电子学提供了通用平台。

更新日期:2021-11-25
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