Issue 26, 2022

Transport signatures of few-atom carbon rings

Abstract

We study the electronic transport through an all-carbon quantum ring side-coupled to a quantum wire. We employ both first-principles calculations and a tight-binding approach; the latter allows for the derivation of analytical expressions for the conductance and density of states, which facilitates the interpretation of the transport characteristics. Two bond models are employed: either all the hoppings are equal (cumulenic ring) or they have alternating bonds (polyynic ring). Assuming cumulenic bonds, if the number of atoms in the carbon ring is a multiple of four, it produces an antiresonant peak in the conductance at the Fermi level. This effect disappears for the polyynic configuration, i.e., when the hoppings in the carbon rings are alternating. Additionally, a gap opens at the Fermi energy in the polyynic rings, yielding distinct transport signatures for the two bond configurations. Comparison to first-principles calculations shows an excellent agreement on the changes of the conductance due to the carbon ring. We propose such transport measurements as a way to elucidate the character of the bonds in these novel carbon nanostructures.

Graphical abstract: Transport signatures of few-atom carbon rings

Article information

Article type
Paper
Submitted
18 Mar 2022
Accepted
06 Jun 2022
First published
15 Jun 2022

Phys. Chem. Chem. Phys., 2022,24, 15973-15981

Transport signatures of few-atom carbon rings

C. Rojas, A. León, M. Pacheco, L. Chico and P. A. Orellana, Phys. Chem. Chem. Phys., 2022, 24, 15973 DOI: 10.1039/D2CP01308H

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