Scattering solution of interacting Hamiltonian for electronic control of molecular spin qubits

TL;DR

This paper presents a Green's function approach to model inelastic electron scattering in molecular spin qubits, demonstrating probabilistic control of entanglement via electron spin in symmetric systems.

Contribution

It introduces a theoretical method combining first-principles parameterization with Green's functions to analyze electron-induced entanglement in MSQ systems.

Findings

Electron scattering can entangle MSQs probabilistically.

Inversion symmetry enables control over entanglement.

Model aligns with realistic physical parameters.

Abstract

We theoretically study how a scattered electron can entangle molecular spin qubits (MSQs). This requires solving the inelastic transport of a single electron through a scattering region described by a tight-binding interacting Hamiltonian. We accomplish this using a Green's function solution. We can model realistic physical implementations of MSQs by parameterizing the tight-binding Hamiltonian with first-principles descriptions of magnetic anisotropy and exchange interactions. We find that for two-MSQ systems with inversion symmetry, the spin degree of freedom of the scattered electron offers probabilistic control of the degree of entanglement between the MSQs.