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Title: Dirac points and van Hove singularities of silicene under uniaxial strain

First-principles calculations have been performed to investigate the low energy electronic properties and van Hove singularities (VHSs) of silicene under uniaxial strain. The Dirac points (DPs) persist when silicene is stretched uniaxially, while they are shifted away from the corners (K points) of the first Brillouin zone (FBZ). The relative positions of DPs with respect to the K points for silicene strained along the armchair (AC) or zigzag (ZZ) direction show opposite tendency compared with strained graphene, which is due to the larger deformation of the unit cell of strained silicene than that of strained graphene. Moreover, for silicene under AC or ZZ strain, the Fermi velocities around DPs along the positive and negative directions of the FBZ show rather significant difference. The nature of the VHS just above the Fermi energy undergoes a transition from the π* band to the σ* band for silicene under increasing AC or ZZ strain. These observations suggest uniaxial strain as an effective route to tune the electronic properties of silicene for potential applications in future electronic devices.
Authors:
 [1] ;  [2] ;  [3]
  1. Wilczek Quantum Center, Zhejiang University of Technology, Hangzhou 310023 (China)
  2. (China)
  3. State Key Laboratory of Low-Dimensional Quantum Physics and Collaborative Innovation Center of Quantum Matter, Department of Physics, Tsinghua University, Beijing 100084 (China)
Publication Date:
OSTI Identifier:
22402932
Resource Type:
Journal Article
Resource Relation:
Journal Name: Journal of Applied Physics; Journal Volume: 117; Journal Issue: 16; Other Information: (c) 2015 AIP Publishing LLC; Country of input: International Atomic Energy Agency (IAEA)
Country of Publication:
United States
Language:
English
Subject:
71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSICS; BRILLOUIN ZONES; COMPARATIVE EVALUATIONS; DEFORMATION; ELECTRONIC STRUCTURE; FERMI LEVEL; GRAPHENE; SILICENE; SINGULARITY; STRAINS