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Title: Effect of pressure on the band structure of BC3
Authors: Manju, M.S.
Harikrishnan, G.
Ajith, K.M.
Valsakumar, M.C.
Issue Date: 2016
Citation: AIP Conference Proceedings, 2016, Vol.1731, , pp.-
Abstract: Density functional theory (DFT) calculations were carried out to study the effect of pressure on the band structure of two dimensional BC3 sheet. BC3 is a semiconductor at ambient conditions having a band gap of ~0.3 eV. Electronic structure calculations are carried out on BC3 at pressures of 5, 20, 50 and 100 GPa. The system shows a semiconductor - metal transition by the application of pressure without any structural transition. � 2016 Author(s).
Appears in Collections:2. Conference Papers

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