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Hole doped Dirac states in silicene by biaxial tensile strain.pdf
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759.9Kb
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ArticleKAUST Department
Computational Physics and Materials Science (CPMS)Material Science and Engineering Program
Physical Science and Engineering (PSE) Division
Date
2013-03-11Preprint Posting Date
2013-10-28Online Publication Date
2013-03-11Print Publication Date
2013-03-14Permanent link to this record
http://hdl.handle.net/10754/315802
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The 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.Citation
Kaloni 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.Publisher
AIP PublishingJournal
Journal of Applied PhysicsarXiv
1310.7411Additional Links
http://scitation.aip.org/content/aip/journal/jap/113/10/10.1063/1.4794812http://arxiv.org/abs/1310.7411
ae974a485f413a2113503eed53cd6c53
10.1063/1.4794812