Manju, M.S.Harikrishnan, H.Ajith, A.Valsakumar, M.C.2026-02-062016AIP Conference Proceedings, 2016, Vol.1731, , p. -0094243Xhttps://doi.org/10.1063/1.4947979https://idr.nitk.ac.in/handle/123456789/32102Density functional theory (DFT) calculations were carried out to study the effect of pressure on the band structure of two dimensional BC<inf>3</inf> sheet. BC<inf>3</inf> is a semiconductor at ambient conditions having a band gap of ~0.3 eV. Electronic structure calculations are carried out on BC<inf>3</inf> 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).Band structureBC3DFT