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

Ruben MirzoyanNathanael P KazmierczakRyan G Hadt
Published in: Chemistry (Weinheim an der Bergstrasse, Germany) (2021)
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.
Keyphrases
  • transition metal
  • molecular dynamics
  • density functional theory
  • energy transfer
  • single molecule
  • room temperature
  • monte carlo
  • public health
  • healthcare
  • health information
  • high resolution
  • tandem mass spectrometry