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A g-SiC6 monolayer and its analogs: A new class of tunable dirac cone materials and novel quantum spin hall insulators
Applied Surface Science ( IF 6.7 ) Pub Date : 2021-12-04 , DOI: 10.1016/j.apsusc.2021.151986
Tao Yang 1, 2 , Xingang Jiang 1 , Wencai Yi 1, 3 , Xiaomin Cheng 2 , Xiaobing Liu 1, 3
Affiliation  

Two-dimensional (2D) Dirac cone materials have received wide attention for their advanced properties, such as nearly-zero effective masses and ultrahigh carrier mobility. However, the robust zero bandgap limited their applications in high-performance electronic devices. In this work, we proposed a series of new 2D Dirac cone materials, termed as g-AB6 monolayers (A = C, Si, and Ge; B = C, Si, Ge, and Sn). We found that the coexistence of sp2 and sp3 hybridization would heavily decrease the structural stability, hence the stable g-AB6 monolayers were only composed of sp2 or sp3 hybridized atoms. The electronic calculations revealed that all g-AB6 monolayers considered are 2D Dirac materials with linear energy dispersions near Fermi level, and they possess high Fermi velocities. Among them, the Fermi velocity of the g-SiC6 monolayer is up to 7.11 × 105m/s, which is the highest value among the known group IVA binary Dirac materials. Additionally, the Dirac cone of g-SiC6 monolayer could be modulated by applying moderate in-plane uniaxial or shear strains (<5%), which are much easier than that of graphene and silicene. Moreover, the g-SiC6, g-GeSi6, g-SiGe6, and g-GeSn6 monolayer have been identified with nontrivial Z2 topological invariant (Z2 = 1), and the g-GeSn6 monolayer was demonstrated as a room temperature topological insulator due to that spin–orbit coupling opens a large bandgap of 319 meV. Considering that the g-AB6 monolayers possess excellent dynamical, thermal, and mechanical stability, the g-AB6 monolayers are a promising candidate for realizing high-speed tunable electronic devices.



中文翻译:

g-SiC 6 单层及其类似物:一类新型可调狄拉克锥材料和新型量子自旋霍尔绝缘体

二维 (2D) Dirac 锥材料因其先进的性能而受到广泛关注,例如接近零的有效质量和超高的载流子迁移率。然而,强大的零带隙限制了它们在高性能电子设备中的应用。在这项工作中,我们提出了一系列新的二维狄拉克锥材料,称为 g-AB6单层(A = C、Si 和 Ge;B = C、Si、Ge 和 Sn)。我们发现共存p2p3 杂交会严重降低结构稳定性,因此稳定的 g-AB6 单层仅由 p2 或者 p3杂化原子。电子计算表明所有 g-AB6考虑的单层是具有接近费米能级的线性能量色散的二维狄拉克材料,并且它们具有高费米速度。其中,g-SiC 的费米速度6 单层高达 7.11 × 105多发性硬化症,这是已知 IVA 族二元狄拉克材料中的最高值。此外,g-SiC 的狄拉克锥6单层可以通过施加适度的面内单轴或剪切应变(<5%)来调节,这比石墨烯和硅烯容易得多。此外,g-SiC6, g-GeSi6, g-SiGe6, 和 g-GeSn6 单层已被鉴定为非平凡 Z2 拓扑不变量(Z2 = 1), 和 g-GeSn6由于自旋轨道耦合打开了 319 meV 的大带隙,单层被证明是室温拓扑绝缘体。考虑到 g-AB6 单分子层具有优异的动态、热和机械稳定性,g-AB6 单层是实现高速可调电子器件的有希望的候选者。

更新日期:2021-12-04
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