KAUST DepartmentPhysical Sciences and Engineering (PSE) Division
Computational Physics and Materials Science (CPMS)
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AbstractThe effects of biaxial tensile strain on the structure, electronic states, and mechanical properties of silicene are studied by ab-initio calculations. Our results show that up to 5% strain the Dirac cone remains essentially at the Fermi level, while higher strain induces hole doped Dirac states because of weakened Si–Si bonds. We demonstrate that the silicene lattice is stable up to 17% strain. It is noted that the buckling first decreases with the strain (up to 10%) and then increases again, which is accompanied by a band gap variation. We also calculate the Grüneisen parameter and demonstrate a strain dependence similar to that of graphene.
CitationKaloni TP, Cheng YC, Schwingenschlögl U (2013) Hole doped Dirac states in silicene by biaxial tensile strain. Journal of Applied Physics 113: 104305. doi:10.1063/1.4794812.
JournalJournal of Applied Physics