Uniaxial strain-induced mechanical and electronic property modulation of siliceneReportar como inadecuado




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Nanoscale Research Letters

, 9:521

First Online: 22 September 2014Received: 17 July 2014Accepted: 17 September 2014

Abstract

We perform first-principles calculations of mechanical and electronic properties of silicene under uniaxial strains. Poisson-s ratio and the rigidity of silicene show strong chirality dependence under large uniaxial strains. The ultimate strains of silicene with uniaxial strain are smaller than those with biaxial strain. We find that uniaxial strains induce Dirac point deviation from the high-symmetry points in the Brillouin zone and semimetal-metal transitions. Therefore, no bandgap opens under the uniaxial strain. Due to its peculiar structure and variable sp-sp ratio of the chemical bond, the deviation directions of Dirac points from the high-symmetry points in the Brillouin zone and variation of Fermi velocities of silicene exhibit significant difference from those of graphene. Fermi velocities show strong anisotropy with respect to the wave vector directions and change slightly before the semimetal-metal transition. We also find that the work function of silicene increases monotonously with the increasing uniaxial strains.

PACS numbers61.46.-w; 62.20.D-; 73.22.Dj

KeywordsSilicene Uniaxial strain First-principles calculation Electronic supplementary materialThe online version of this article doi:10.1186-1556-276X-9-521 contains supplementary material, which is available to authorized users.

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Autor: Rui Qin - Wenjun Zhu - Yalin Zhang - Xiaoliang Deng

Fuente: https://link.springer.com/



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