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

Mirzoyan, Ruben and Kazmierczak, Nathanael P. and Hadt, Ryan G. (2021) Deconvolving Contributions to Decoherence in Molecular Electron Spin Qubits: A Dynamic Ligand Field Approach. Chemistry: a European Journal . ISSN 0947-6539. doi:10.1002/chem.202100845. (In Press) https://resolver.caltech.edu/CaltechAUTHORS:20210416-082713543

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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 we delineate the spin‐spin, motional, and spin‐phonon regimes of decoherence, outlining design principles for each. We show 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.


Item Type:Article
Related URLs:
URLURL TypeDescription
https://doi.org/10.1002/chem.202100845DOIArticle
ORCID:
AuthorORCID
Mirzoyan, Ruben0000-0002-2334-4012
Hadt, Ryan G.0000-0001-6026-1358
Additional Information:© 2021 Wiley‐VCH GmbH. Accepted manuscript online: 14 April 2021; Manuscript accepted: 14 April 2021; Manuscript revised: 10 April 2021; Manuscript received: 07 March 2021. NPK acknowledges support by the National Science Foundation Graduate Research Fellowship under Grant No. DGE-1745301. Financial support from Caltech and the Dow Next Generation Educator Fund is gratefully acknowledged.
Funders:
Funding AgencyGrant Number
NSF Graduate Research FellowshipDGE-1745301
CaltechUNSPECIFIED
Dow Next Generation Educator FundUNSPECIFIED
Subject Keywords:decoherence; electronic structure; ligand field theory; magnetic properties; qubit
DOI:10.1002/chem.202100845
Record Number:CaltechAUTHORS:20210416-082713543
Persistent URL:https://resolver.caltech.edu/CaltechAUTHORS:20210416-082713543
Official Citation:Mirzoyan, R., Kazmierczak, N.P. and Hadt, R.G. (2021), Deconvolving Contributions to Decoherence in Molecular Electron Spin Qubits: A Dynamic Ligand Field Approach. Chem. Eur. J. Accepted Author Manuscript. https://doi.org/10.1002/chem.202100845
Usage Policy:No commercial reproduction, distribution, display or performance rights in this work are provided.
ID Code:108751
Collection:CaltechAUTHORS
Deposited By: Tony Diaz
Deposited On:19 Apr 2021 16:23
Last Modified:19 Apr 2021 16:23

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