Parity oscillations of Kondo temperature in a single molecule break junction

TL;DR

This paper investigates how the Kondo temperature in a single molecule break junction oscillates with the parity of atomic sites, revealing strong dependence on molecular positioning and parity-induced effects.

Contribution

It demonstrates that the Kondo temperature exhibits parity-dependent oscillations in a molecular break junction, providing a detailed understanding of the underlying hybridization effects.

Findings

$T_K$ oscillates with the parity of atomic sites.

Maximum $T_K$ occurs for odd,odd site configuration.

Minimum $T_K$ occurs for even,even site configuration.

Abstract

We study the Kondo temperature ($T_K$) of a single molecule break junction. By employing a numerical renormalization group calculations we have found that $T_K$ depends dramatically upon the position of the molecule in the wire formed between the contacts. We show that $T_K$ exhibits strong \emph{oscillations} when the parity of the left {and/or} right number of atomic sites ($N_L,N_R$) is changed. For a given set of parameters, the maximum value of $T_K$ occurs for ($odd,odd$) combination, while its minimum values is observed for ($even,even$). These oscillations are fully understood in terms of the effective hybridization function.