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Semiconductor to metal transition in bilayer phosphorene under normal compressive strain

Manjanath, Aaditya and Samanta, Atanu and Pandey, Tribhuwan and Singh, Abhishek K (2015) Semiconductor to metal transition in bilayer phosphorene under normal compressive strain. In: NANOTECHNOLOGY, 26 (7).

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Official URL: http://dx.doi.org/ 10.1088/0957-4484/26/7/075701

Abstract

Phosphorene, a two-dimensional analog of black phosphorous, has been a subject of immense interest recently, due to its high carrier mobilities and a tunable bandgap. So far, tunability has been predicted to be obtained with very high compressive/tensile in-plane strains, and vertical electric field, which are difficult to achieve experimentally. Here, we show using density functional theory based calculations the possibility of tuning electronic properties by applying normal compressive strain in bilayer phosphorene. A complete and fully reversible semiconductor to metal transition has been observed at similar to 13.35% strain, which can be easily realized experimentally. Furthermore, a direct to indirect bandgap transition has also been observed at similar to 3% strain, which is a signature of unique band-gap modulation pattern in this material. The absence of negative frequencies in phonon spectra as a function of strain demonstrates the structural integrity of the sheets at relatively higher strain range. The carrier mobilities and effective masses also do not change significantly as a function of strain, keeping the transport properties nearly unchanged. This inherent ease of tunability of electronic properties without affecting the excellent transport properties of phosphorene sheets is expected to pave way for further fundamental research leading to phosphorene-based multi-physics devices.

Item Type: Journal Article
Additional Information: Copy right for this article belongs to the IOP PUBLISHING LTD, TEMPLE CIRCUS, TEMPLE WAY, BRISTOL BS1 6BE, ENGLAND
Department/Centre: Division of Chemical Sciences > Materials Research Centre
Depositing User: Id for Latest eprints
Date Deposited: 23 Mar 2015 09:56
Last Modified: 23 Mar 2015 09:56
URI: http://eprints.iisc.ac.in/id/eprint/51080

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