Non-equivalent nature of acetylenic bonds in typical square graphynes and intricate negative differential resistance characteristics

Nath, S and Sekhar Mondal, N and Bandyopadhyay, A and Mondal, R and Jana, D (2023) Non-equivalent nature of acetylenic bonds in typical square graphynes and intricate negative differential resistance characteristics. In: Journal of Physics Condensed Matter, 35 (32).

PDF jou_phy_con_35-32_2023.pdf - Published Version Restricted to Registered users only Download (3MB) | Request a copy

Abstract

The role of acetylenic linkage in determining the exotic band structures of 4, 12, 2- and 4, 12, 4- graphynes is reported. The Dirac bands, as confirmed by both density functional theory and tight-binding calculations, are robust and stable over a wide range of hopping parameters between s p - s p -hybridized carbon atoms. The shifting of the crossing points of the Dirac bands along the k-path of these two square graphynes is found to be in opposite direction with the hopping along with the acetylenic bond. A real space decimation scheme has also been adopted for understanding this interesting behavior of the band structure of these two graphynes. The condition for the appearance of a nodal ring in the band structure has been explored and critically tested by appropriate Boron-Nitrogen doping. Moreover, both the graphynes exhibit negative differential resistance in their current-voltage characteristics, with 4, 12, 2- graphynes showing superiority.

Item Type:	Journal Article
Publication:	Journal of Physics Condensed Matter
Publisher:	Institute of Physics
Additional Information:	The copyright for this article belongs to Institute of Physics
Keywords:	graphynes; nodal line semimetal; square symmetry; tight-binding model; transport properties
Department/Centre:	Division of Chemical Sciences > Solid State & Structural Chemistry Unit
Date Deposited:	23 Jun 2023 04:10
Last Modified:	23 Jun 2023 04:23
URI:	https://eprints.iisc.ac.in/id/eprint/82021

Actions (login required)

View Item