In-Field and Zero-Field Relaxation Dynamics of Dysprosocenium in Solution

The Journal of Physical Chemistry A, Год журнала: 2025, Номер 129(9), С. 2144 - 2150

Опубликована: Фев. 25, 2025

Most of the work in expanding frontiers single-molecule magnets employs chemical design new molecules to increase size effective barrier (Ueff) or hysteresis temperature (TH). Here we explore how perturbing local environment affects magnetic relaxation properties by dissolving [Dy(Cpttt)2][B(C6F5)4] two different solvents: difluorobenzene (DFB) and dichloromethane (DCM). Surprisingly, find no significant effects phonon-driven Raman-I regime at higher temperatures, but do observe that frozen-solution increases rate quantum tunneling magnetization (QTM) due an avoided level crossing. We there is a drastic decrease Raman low temperatures for concentrated DCM polycrystalline samples under applied field where QTM process quenched, which attributed changes low-energy phonon spectrum not replicated other samples.

Язык: Английский

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Molecular spin relaxation of f-block metal complexes for quantum applications in a nutshell (Review article)

Low Temperature Physics, Год журнала: 2025, Номер 51(5), С. 517 - 532

Опубликована: Май 1, 2025

This is a critical report on the most recent progress towards implementation of single-ion/molecule magnets (SIM/SMMs) in molecular spin qubits. Short flash-back to effect lattice distortions doubly degenerate state manganites, mirrored by magnetic bistability SMMs, followed summary suppression quantum decoherence SIM/SMMs units slowing spin-lattice relaxation and avoiding level crossings.

Язык: Английский

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Theoretical analyses of actinide single-atom magnetic behavior: Spin-vibration coupling and spin relaxation dynamics of single uranium atom on MgO/Ag(100)

Physical review. B./Physical review. B, Год журнала: 2025, Номер 111(18)

Опубликована: Май 22, 2025

Язык: Английский

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The impact of low-energy phonon lifetimes on the magnetic relaxation in a dysprosocenium single-molecule magnet

Chemical Communications, Год журнала: 2024, Номер unknown

Опубликована: Янв. 1, 2024

Calculation of phonons, phonon scattering, spin–phonon coupling and magnetic relaxation rates for a dysprosocenium single-molecule magnet show that strong scattering low-energy modes is significant contribution to their high-performance.

Язык: Английский

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Predicting Magnetic Barriers in Lanthanide Complexes with Electrostatic Potential Charges

The Journal of Physical Chemistry A, Год журнала: 2024, Номер unknown

Опубликована: Дек. 22, 2024

Single-molecule magnets (SMMs) with slow relaxation of magnetization and blocking temperatures above that liquid nitrogen are essential for practical applications in high-density data storage devices quantum computers. A rapid accurate prediction the effective magnetic barrier (Ueff) is needed to accelerate discovery high-performance SMMs. Using density functional theory multireference calculations, we explored correlations between Ueff, partial atomic charges, anisotropic a series sandwich-type lanthanide complexes containing cyclooctatetraene, substituted cyclopentadiene, phospholyl, boratabenzene, or borane ligands. Our results show correlation electrostatic potential charge ion complex Ueff. Systematic ligand modifications reducing nucleophilicity incorporating soft bases enhance anisotropy Ueff values. This work identifies predict values optimization coordination environments lanthanide-based

Язык: Английский

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A fluorobenzene-bound dysprosium half-sandwich dication single-molecule magnet

Chemical Science, Год журнала: 2024, Номер unknown

Опубликована: Дек. 4, 2024

We show that fluorobenzene-bound dicationic lanthanide complexes containing a single anionic ligand can interesting single-molecule magnet properties, and be useful starting materials to heteroleptic bulky ligands.

Язык: Английский

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