<i>Ab initio</i>prediction of a new allotrope of two-dimensional silicon

Tang, Jiang; Li, Jin; He, Chaoyu; Zhang, Chunxiao; Ouyang, Tao; Tang, Chao; Xiao, Huaping; Zhong, Jianxin

doi:10.1002/pssr.201600422

Cited by 10 publications

(8 citation statements)

References 40 publications

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“…Qiao et al predicted the tetra-silicene to be a semiconductor with a 0.19 eV bandgap. Besides, the kagome lattice was also reported previously for the structural candidates of 2D allotropes of silicon. − In addition, the 2D lattices containing large-size silicon ring such as the octagonal unit and the one similar to the MoS 2 sheet were also studied, which are semimetallic, metallic, or semiconducting depending on the topological arrangement of Si atoms. − …”

Section: Introductionmentioning

confidence: 91%

A Novel Two-Dimensional Allotrope of Silicon Grown on Al(111): A Case Study of the Interface Effect

et al. 2022

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Based on density functional calculations, a novel planar allotrope of silicon on Al( 111) is rationally designed by using the lowest energy principle, which is also predicted to be stable above room temperature to suggest the possibility for its fabrication. The corresponding free-standing sheet would be buckled though the structural characteristics still remain, whose stability has also been evaluated in detail. It has been found to have strong anisotropic properties to be as hard as silicene in a specific direction and to be very soft in the perpendicular direction. Surprisingly, a peculiar negative Poisson's ratio showing unusual mechanical properties is also found. The indirect bandgap of 0.14 eV of the free-standing sheet could be closed by applying tensile strain. Interestingly, the Dirac cone of the orthogonal lattice allotrope sheet can be obtained by applying biaxial strain, for which the velocity of the charge carriers could reach 5.97 × 10 5 m/s. In addition, the hydrogenated sheet is also quite stable and may find usage for sunlight absorption, field-effect transistor, etc., which may be decorated with Ti, Fe, or Co adsorptions to have half-metallic conducting properties for spin filtering.

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Section: Introductionmentioning

confidence: 91%

A Novel Two-Dimensional Allotrope of Silicon Grown on Al(111): A Case Study of the Interface Effect

et al. 2022

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“…In addition to the hb polymorph, structures composed of dumbbell units have also been proposed for Si, Ge, and Sn. − The formation of a dumbbell unit is presented in Figure b. For silicene, an array of dumbbell units has been suggested at high Si deposition conditions .…”

Section: Elemental 2d Materialsmentioning

confidence: 99%

Polymorphism in Post-Dichalcogenide Two-Dimensional Materials

2021

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Two-dimensional (2D) materials exhibit a wide range of atomic structures, compositions, and associated versatility of properties. Furthermore, for a given composition, a variety of different crystal structures (i.e., polymorphs) can be observed. Polymorphism in 2D materials presents a fertile landscape for designing novel architectures and imparting new functionalities. The objective of this Review is to identify the polymorphs of emerging 2D materials, describe their polymorph-dependent properties, and outline methods used for polymorph control. Since traditional 2D materials (e.g., graphene, hexagonal boron nitride, and transition metal dichalcogenides) have already been studied extensively, the focus here is on polymorphism in post-dichalcogenide 2D materials including group III, IV, and V elemental 2D materials, layered group III, IV, and V metal chalcogenides, and 2D transition metal halides. In addition to providing a comprehensive survey of recent experimental and theoretical literature, this Review identifies the most promising opportunities for future research including how 2D polymorph engineering can provide a pathway to materials by design.

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“…20,21 However, the nontrivial band gap of silicene is only 1.55 meV, requiring extremely low-temperature conditions (18 K) to realize the QSH state of silicene in experiments. 13 Although a number of monolayer silicene allotropes were predicted, [22][23][24][25][26][27][28][29] most of them are ordinary semiconductors or metals. Therefore, it is of great significance to search for large-gap QSH insulators in twodimensional silicon systems that can support high temperature applications.…”

Section: Introductionmentioning

confidence: 99%