Deconvolving Contributions to Decoherence in Molecular Electron Spin Qubits: A Dynamic Ligand Field Approach. Issue 37 (17th May 2021)

• Record Type: Journal Article
• Authors: Mirzoyan, Ruben; Kazmierczak, Nathanael P.; Hadt, Ryan G.
• Is Part Of: Chemistry. Volume 27:Issue 37(2021)
• Page Start: 9482
• Page End: 9494
• Publication Date: 2021-05-17
• Subjects: decoherence -- electronic structure -- ligand field theory -- magnetic properties -- qubit; Chemistry -- Periodicals; 540
• DOI: 10.1002/chem.202100845
• Languages: English
• ISSNs: 0947-6539

Abstract

Abstract: In the past decade, transition metal complexes have gained momentum as electron spin‐based quantum bit (qubit) candidates due to their synthetic tunability and long achievable coherence times. The decoherence of magnetic quantum states imposes a limit on the use of these qubits for quantum information technologies, such as quantum computing, sensing, and communication. With rapid recent development in the field of molecular quantum information science, a variety of chemical design principles for prolonging coherence in molecular transition metal qubits have been proposed. Here the spin‐spin, motional, and spin‐phonon regimes of decoherence are delineated, outlining design principles for each. It is shown how dynamic ligand field models can provide insights into the intramolecular vibrational contributions in the spin‐phonon decoherence regime. This minireview aims to inform the development of molecular quantum technologies tailored for different environments and conditions. Abstract : Controlling quantum decoherence in paramagnetic transition metal complexes enables the realization of next‐generation quantum technologies from computing to sensing. Phenomena contributing to electron spin decoherence are deconstructed into three groups: the spin‐spin, motional and spin‐phonon regimes. Corresponding molecular design principles are described for each regime, with particular emphasis on the use of dynamic ligand field theory to analyze intramolecular vibrational contributions to decoherence.