Deconvolving Contributions to Decoherence in Molecular Electron Spin Qubits: A Dynamic Ligand Field Approach

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.

Automated summary

Transition metal complexes have become prominent candidates for quantum bit applications in the past decade due to their tunability and long coherence times. However, decoherence limits their use in quantum information technologies. Recent developments have proposed various chemical design principles to extend coherence in molecular transition metal qubits, outlining different decoherence regimes and design principles for each. 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.