Theoretical study of phenylbismuth anion as a blueprint for main-group single-molecule magnets

Mansikkamäki, Akseli

doi:10.1039/d3cc00042g

Cited by 1 publication

(1 citation statement)

References 41 publications

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“…Building on these results, pulsed X-band measurements show the possibility for coherent manipulation of the Pr 4+ ion with coherence times, reaching a maximum of T 1 = 33 ms and T m = 18 μs, with spin dynamics detectable up to T * = 60 K. Therefore, in this tetravalent RE qubit, we have demonstrated long phase memory times exceeding most trivalent RE qubit systems via an alternative approach by employing the large CF energy scale of Pr 4+ with a vanishing orbital angular momentum via control of the metal oxidation state. Additionally, our work establishes the IC regime as a potential avenue for designing new RE, actinide, heavy (4d and 5d) transition-metal, and main-group , -based quantum materials, both in solid-state and molecular systems.…”

Section: Discussionmentioning

confidence: 74%

Increased Crystal Field Drives Intermediate Coupling and Minimizes Decoherence in Tetravalent Praseodymium Qubits

Ramanathan,

Walter,

Mourigal

et al. 2023

J. Am. Chem. Soc.

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Crystal field (CF) control of rare-earth (RE) ions has been employed to minimize decoherence in qubits and to enhance the effective barrier of single-molecule magnets. The CF approach has been focused on the effects of symmetry on dynamic magnetic properties. Herein, the magnitude of the CF is increased via control of the RE oxidation state. The enhanced 4f metal− ligand covalency in Pr 4+ gives rise to CF energy scales that compete with the spin−orbit coupling of Pr 4+ and thereby shifts the paradigm from the ionic ζ SOC ≫ V CF limit, used to describe trivalent RE-ion, to an intermediate coupling (IC) regime. We examine Pr 4+ -doped perovskite oxide lattices (BaSnO 3 and BaZrO 3 ). These systems are defined by IC which quenches orbital angular momentum. Therefore, the single-ion spin−orbit coupled states in Pr 4+ can be chemically tuned. We demonstrate a relatively large hyperfine interaction of A iso = 1800 MHz for Pr 4+ , coherent manipulation of the spin with Q M = 2Ω R T m , reaching up to ∼400 for 0.1Pr:BSO at T = 5 K, and significant improvement of the temperature at which T m is limited by T 1 (T* = 60 K) compared to other RE ion qubits.

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Section: Discussionmentioning

confidence: 74%

Increased Crystal Field Drives Intermediate Coupling and Minimizes Decoherence in Tetravalent Praseodymium Qubits

Ramanathan,

Walter,

Mourigal

et al. 2023

J. Am. Chem. Soc.

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Theoretical study of phenylbismuth anion as a blueprint for main-group single-molecule magnets

Abstract: The hypothetical [BiPh]– anion obtained by a one-electron reduction from the respective bismuthinidene is proposed as a basis for constructing single-molecule magnets (SMMs) consisting purely of main-group elements. Based on...

Cited by 1 publication

References 41 publications

Increased Crystal Field Drives Intermediate Coupling and Minimizes Decoherence in Tetravalent Praseodymium Qubits

Increased Crystal Field Drives Intermediate Coupling and Minimizes Decoherence in Tetravalent Praseodymium Qubits

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