First-principles calculations of mechanical and electronic properties of silicene under strain

By Rui Qin, Chun-Hai Wang, Wenjun Zhu, Yalin Zhang. 2012

153 citations recorded by the source corpus.

We perform first-principles calculations of mechanical and electronic properties of silicene under strains. The in-plane stiffness of silicene is much smaller than that of graphene. The yielding strain of silicene under uniform expansion in the ideal conditions is about 20%. The homogeneous strain can introduce a semimetal-metal transition. The semimetal state of silicene, in which the Dirac cone locates at the Fermi level, can only persist up to tensile strain of 7% with nearly invariant Fermi velocity. For larger strains, silicene changes into a conventional metal. The work function is found to change significantly under biaxial strain. Our calculations show that strain tuning is important for applications of silicene in nanoelectronics.

Subfields: Atomic and Molecular Physics, and Optics, Materials Chemistry

View Paper: https://www.semanticscholar.org/paper/8914e1041a3352f178c3f39be44b97bb0f8b78ba

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In Atomic and Molecular Physics, and Optics

In Materials Chemistry

Citations in the corpus

First-principles investigation of mechanical properties of silicene, germanene and stanene (2017, background): “[27] also suggested that the semimetal state of silicene can persist up to a tensile strain of 7%.”