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Stability and electronic properties of bilayer graphene spirals
Physica E: Low-dimensional Systems and Nanostructures ( IF 3.3 ) Pub Date : 2021-01-19 , DOI: 10.1016/j.physe.2021.114638
Rajesh Thakur , P.K. Ahluwalia , Ashok Kumar , Raman Sharma

Spiral topology offers many potential applications to next-generation nanoelectronic devices. The ab-initio simulations are used to investigate the stability and electronic properties of the hexagonal and triangular double-layer spiral (DLS). A room temperature molecular dynamics (MD) simulation reveals that the AA stacking of triangular DLS (t-DLS) is thermodynamically stable, however, the AA stacking of hexagonal DLS (h-DLS)is found to get distorted. When h-DLS and t-DLS are subjected to tensile strain the h-DLS behaved elastically, however, the t-DLS is extremely brittle. Both h-DLS and t-DLS are observed to be metallic in an equilibrium state. On applying an electric field, the h-DLS remains metallic, whereas, the t-DLS becomes a semiconductor. The bandgap of t-DLS is observed to open up even for a small magnitude of electric field. Furthermore, we also found that the triangular-shaped bilayer spiral topology gives rise to an intrinsic Rashba splitting. Our study opens up new and innovative ideas for investigating the spiral-shaped nano-structures.



中文翻译:

双层石墨烯螺旋的稳定性和电子性质

螺旋拓扑为下一代纳米电子器件提供了许多潜在的应用。从头算是用来研究六边形和三角形双层螺旋(DLS)的稳定性和电子性能。室温分子动力学(MD)模拟显示,三角形DLS(t-DLS)的AA堆叠是热力学稳定的,但是,六角形DLS(h-DLS)的AA堆叠会变形。当h-DLS和t-DLS受到拉应变时,h-DLS会弹性地表现,但是,t-DLS非常脆。观察到h-DLS和t-DLS在平衡状态下均为金属。在施加电场时,h-DLS保持金属性,而t-DLS变成半导体。观察到即使在很小的电场下,t-DLS的带隙也会打开。此外,我们还发现三角形双层螺旋形拓扑结构引起了固有的Rashba分裂。我们的研究为研究螺旋形纳米结构开辟了新的创新思路。

更新日期:2021-01-25
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