Effect of pressure on the band structure of BC3

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dc.contributor.authorManju, M.S.
dc.contributor.authorHarikrishnan, G.
dc.contributor.authorAjith, K.M.
dc.contributor.authorValsakumar, M.C.
dc.date.accessioned2020-03-30T10:02:58Z
dc.date.available2020-03-30T10:02:58Z
dc.date.issued2016
dc.description.abstractDensity 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).en_US
dc.identifier.citationAIP Conference Proceedings, 2016, Vol.1731, , pp.-en_US
dc.identifier.urihttps://idr.nitk.ac.in/handle/123456789/7870
dc.titleEffect of pressure on the band structure of BC3en_US
dc.typeBook chapteren_US

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