Spin-related electronic pathway through single molecule on Au(111)

TL;DR

This study investigates the spin transport properties of Fe-tetraphenyl porphyrin molecules on Au(111), revealing that electron transport is mediated through the Fe atom, with implications for spintronic device design.

Contribution

It provides the first combined experimental and theoretical analysis of spin-related transport pathways in FeTPP on Au(111).

Findings

Spin excitations observed on Fe atom and pyrrole groups.

Electron transport is mediated through the Fe atom.

Molecular structure is distorted upon adsorption.

Abstract

Spin properties of organic molecules have attracted great interest for their potential applications in spintronic devices and quantum computing. Fe-tetraphenyl porphyrin (FeTPP) is of particular interest for its robust magnetic properties on metallic substrates. FeTPP is prepared in vacuum via on-surface synthesis. Molecular structure and spin-related transport properties are characterized by low-temperature scanning tunneling microscope and spectroscopy at 0.5 K. Density functional theory calculations are performed to understand molecular adsorption and spin distribution on Au(111). The molecular structure of FeTPP is distorted upon adsorption on the substrate. Spin excitations of FeTPP are observed on the Fe atom and high pyrrole groups in differential conductance spectra. The calculated spin density distribution indicates that the electron spin of FeTPP is mainly distributed on the Fe atom. The atomic transmission calculation indicates that electrons transport to substrate is mediated through Fe atom, when the tip is above the high pyrrole group.