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CuP: A new type of anisotropic and very stable Dirac cone material
Physica E: Low-dimensional Systems and Nanostructures ( IF 3.3 ) Pub Date : 2021-01-23 , DOI: 10.1016/j.physe.2021.114637
Gui-Gui Li , Wei-Xiao Ji , Chang-Wen Zhang , Ping Li , Pei-Ji Wang

The anisotropic Dirac cone has the advantage of anisotropic carrier mobility, which is different from other Dirac materials and can be applied to direction-dependent quantum devices. By first-principle calculation, we systematically research the Dirac cone and quantum properties of CuP. The calculation results show that CuP monolayer is a new type of anisotropic Dirac material. In addition, there is no virtual frequency in the phonon spectrum of this structure. At 300 K, the CuP monolayer can be remained well and there is no loose fracture of the structure. Based on grounds of Born criteria, CuP monolayer has good mechanical stability. Interestingly, considering the effect of spin-orbit coupling (SOC), the Dirac cone does not open the band gap. Moreover, the addition of stress does not destroy the Dirac cone. The material is mechanically and thermally stable. The results of Poisson's ratio and Young's modulus show that the structure has obvious anisotropy. It is worth noting that, the Fermi velocity to the right is 2.3 × 105 m/s and the left is 4.5 × 105 m/s, which is in the same order of magnitude as the Fermi velocity of graphene (8.0 × 105 m/s). The calculation results provide an ideal basis for the design of directional electron transport devices in spintronics.



中文翻译:

CuP:一种新型的各向异性且非常稳定的狄拉克圆锥体材料

各向异性狄拉克锥具有各向异性载流子迁移率的优势,这不同于其他狄拉克材料,可以应用于方向相关的量子装置。通过第一性原理计算,我们系统地研究了Dirac锥和CuP的量子性质。计算结果表明,CuP单层是一种新型的各向异性狄拉克材料。另外,该结构的声子频谱中没有虚拟频率。在300 K下,CuP单层可以很好地保留,并且结构没有松散的断裂。基于Born标准,CuP单层具有良好的机械稳定性。有趣的是,考虑到自旋轨道耦合(SOC)的影响,狄拉克锥不会打开带隙。而且,应力的增加不会破坏狄拉克锥。该材料是机械和热稳定的。泊松比和杨氏模量的结果表明,该结构具有明显的各向异性。值得注意的是,右边的费米速度为2.3×105  m / s,左侧为4.5×10 5  m / s,与石墨烯的费米速度(8.0×10 5  m / s)处于同一数量级。计算结果为自旋电子学中定向电子传输装置的设计提供了理想的基础。

更新日期:2021-02-01
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