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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, 27 (37). pp. 9482-9494. ISSN 0947-6539. doi:10.1002/chem.202100845.

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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
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URLURL TypeDescription
Mirzoyan, Ruben0000-0002-2334-4012
Hadt, Ryan G.0000-0001-6026-1358
Additional Information:© 2021 Wiley‐VCH GmbH. Issue Online: 02 July 2021; Version of Record online: 17 May 2021; Accepted manuscript online: 14 April 2021; Manuscript received: 07 March 2021. We gratefully thank David A. Cagan for frontispiece artwork. N.P.K. 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. The authors declare no conflict of interest.
Funding AgencyGrant Number
NSF Graduate Research FellowshipDGE-1745301
Dow Next Generation Educator FundUNSPECIFIED
Subject Keywords:decoherence; electronic structure; ligand field theory; magnetic properties; qubit
Issue or Number:37
Record Number:CaltechAUTHORS:20210416-082713543
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Official Citation:Deconvolving Contributions to Decoherence in Molecular Electron Spin Qubits: A Dynamic Ligand Field Approach. R. Mirzoyan, N. P. Kazmierczak, R. G. Hadt, Chem. Eur. J. 2021, 27, 9482; DOI: 10.1002/chem.202100845
Usage Policy:No commercial reproduction, distribution, display or performance rights in this work are provided.
ID Code:108751
Deposited By: Tony Diaz
Deposited On:19 Apr 2021 16:23
Last Modified:16 Jul 2021 17:58

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