Electronic transport through the phtalocyanine molecule in atomic contacts Co

TL;DR

This study investigates how a magnetic STM tip influences electronic and magnetic transport properties through a cobalt phthalocyanine molecule, revealing spin transitions that affect magneto-resistance and I-V characteristics.

Contribution

It provides ab initio insights into spin transitions and their impact on electronic transport in molecule junctions with magnetic tips, a novel aspect in molecular electronics.

Findings

Spin transition causes sign change in magneto-resistance.

Spin transition influences the I-V characteristics.

Magnetic tip distance controls the spin state of Co in CoPc.

Abstract

The effect of magnetic STM-tip on electronic, magnetic and electronic transport properties through the molecule junction STM-tip-Co/CoPc/Co(111), has been investigated by mean of ab initio electronic structure calculations. The spin transition has been studied by varying the distance (passing from the tunneling regime to the contact regime) between the tip and the CoPc molecule in both configurations, parallel and anti-parallel. Our calculation shows that the transition of spin of the Co atom of CoPc molecule has led to a change of the sign of the Magneto-Resistance (MR). It is also shown that the characteristic I-V has been influenced by this spin-transition of central atom of CoPc molecule.