Effect of pressure on the band structure of BC3
| dc.contributor.author | Manju, M.S. | |
| dc.contributor.author | Harikrishnan, H. | |
| dc.contributor.author | Ajith, A. | |
| dc.contributor.author | Valsakumar, M.C. | |
| dc.date.accessioned | 2026-02-06T06:39:06Z | |
| dc.date.issued | 2016 | |
| dc.description.abstract | Density 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). | |
| dc.identifier.citation | AIP Conference Proceedings, 2016, Vol.1731, , p. - | |
| dc.identifier.issn | 0094243X | |
| dc.identifier.uri | https://doi.org/10.1063/1.4947979 | |
| dc.identifier.uri | https://idr.nitk.ac.in/handle/123456789/32102 | |
| dc.publisher | American Institute of Physics Inc. subs@aip.org | |
| dc.subject | Band structure | |
| dc.subject | BC3 | |
| dc.subject | DFT | |
| dc.title | Effect of pressure on the band structure of BC3 |