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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). |
URI: | http://idr.nitk.ac.in/jspui/handle/123456789/7870 |
Appears in Collections: | 2. Conference Papers |
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