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Condens. Matter 2017, 2(1), 1; doi:10.3390/condmat2010001

Tuning the Electronic Structure of Hydrogen-Decorated Silicene

Institute of Physics, Maria Curie-Skłodowska University, Pl. M. Curie-Skłodowskiej 1, 20-031 Lublin, Poland
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Academic Editors: Augusto Marcelli and Antonio Bianconi
Received: 9 November 2016 / Revised: 15 December 2016 / Accepted: 19 December 2016 / Published: 23 December 2016
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Abstract

The effects of strain, charge doping, and external electric field on the electronic structure of a free-standing silicene layer decorated by hydrogen atoms are studied by first-principles density functional theory. Various phases, including insulating, metallic, spin-polarized, and half-metallic have been found, depending on these external factors. The most efficient way of switching the system between these phases is charge doping. The character of the energy gap of the H/silicene system can also be modified, and for charged or for strained systems, the originally indirect gap can be tuned to become direct. The obtained results are very promising in view of the silicene functionalization and potential applications of silicene in the fields of spintronics and optoelectronics. View Full-Text
Keywords: silicene; density functional theory (DFT); functionalization silicene; density functional theory (DFT); functionalization
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Podsiadły-Paszkowska, A.; Krawiec, M. Tuning the Electronic Structure of Hydrogen-Decorated Silicene. Condens. Matter 2017, 2, 1.

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