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We present a first-principles investigation of spin-phonon relaxation in a molecular crystal of Co(II) single-ion magnets. Our study combines electronic structure calculations with machine-learning force fields and unravels the nature of…

材料科学 · 物理学 2020-05-27 Alessandro Lunghi , Stefano Sanvito

The Raman exponent of single-molecular magnetic relaxation may take various unexpected values because of rich phonon spectrum and spin-phonon coupling of molecular crystals. We systematically examine the origins of different abnormalities,…

材料科学 · 物理学 2021-01-13 Lei Gu , Ruqian Wu

Magnetic relaxation in coordination compounds is largely dominated by the interaction of the spin with phonons. Large zero-field splitting and exchange coupling values have been empirically found to strongly suppress spin relaxation and…

The unique electronic and magnetic properties of Lanthanides molecular complexes place them at the forefront of the race towards high-temperature single-ion magnets and magnetic quantum bits. The design of compounds of this class has so far…

Spin relaxation between the two lowest-lying spin-states has been studied in the S=4 single molecule magnet Ni$_4$ under steady state conditions of low amplitude and continuous microwave irradiation. The relaxation rate was determined as a…

介观与纳米尺度物理 · 物理学 2008-07-22 G. de Loubens , D. A. Garanin , C. C. Beedle , D. N. Hendrickson , A. D. Kent

Single-Molecule Magnets (SMMs) exhibit slow magnetic relaxation as a result of axial magnetic anisotropy inhibiting spin-phonon transitions. In order to establish a direct link between physical observables and the microscopic theory of…

材料科学 · 物理学 2026-03-20 Mikolaj Żychowicz , Jakub J. Zakrzewski , Szymon Chorazy , Alessandro Lunghi

We study the spin-phonon relaxation rate of both Kramers and non-Kramers molecular magnets in strongly diluted samples at low temperature. Using the "rotational" contribution to the spin-phonon Hamiltonian, universal formulae for the…

强关联电子 · 物理学 2018-01-31 Le Tuan Anh Ho , Liviu F. Chibotaru

The study of how spin interacts with lattice vibrations and relaxes to equilibrium provides unique insights on its chemical environment and the relation between electronic structure and molecular composition. Despite its importance for…

材料科学 · 物理学 2022-08-23 Sourav Mondal , Alessandro Lunghi

Multiple relaxation times detected in the ac magnetic susceptibility of several single-molecule magnets have been always assigned to extrinsic factors, such as nonequivalent magnetic centers or effects of intermolecular interactions in the…

材料科学 · 物理学 2016-10-12 Le Tuan Anh Ho , Liviu F. Chibotaru

We derive a simple system of equations to describe the magnetization relaxation of a molecular spin in weak interaction with a thermal bath for the whole temperature domain. Using this for the intermediate temperature domain where the…

材料科学 · 物理学 2022-12-27 Le Tuan Anh Ho , Liviu Ungur , Liviu F. Chibotaru

Spin-phonon interaction is known to drive magnetic relaxation in solid-state systems, but little evidence is available on how it affects coherence time. Here we extend fourth-order quantum master equations to account for coherence terms and…

量子物理 · 物理学 2025-07-29 Alessandro Lunghi

The magnetization relaxation of Mn12 single-molecule magnets (SMMs) does not follow a simple Arrhenius law, even for data collected at low frequencies (5-1500 Hz) due to contributions from relaxation pathways via excited states with larger…

介观与纳米尺度物理 · 物理学 2009-06-05 Christos Lampropoulos , Stephen O. Hill , George Christou

Magnetic molecules have played a central role in the development of magnetism and coordination chemistry and their study keeps leading innovation in cutting-edge scientific fields such as magnetic resonance, magnetism, spintronics, and…

材料科学 · 物理学 2022-02-09 Alessandro Lunghi

Magnetic hysteresis has become a crucial aspect for characterizing single-molecule magnets, but the comprehension of the coercivity mechanism is still a challenge. By using analytical derivation and quantum dynamical simulations, we reveal…

材料科学 · 物理学 2023-09-08 Lei Gu , Qiancheng Luo , Guoping Zhao , Yan-Zhen Zheng , Ruqian Wu

Monte Carlo simulations are used to study the magnetic relaxation of a system of single domain particles with dipolar interactions modeled by a chain of Heisenberg classical spins. We show that the so-called $T\ln(t/\tau_0)$ method can be…

材料科学 · 物理学 2007-05-23 Oscar Iglesias , Amilcar Labarta

The dynamical theory of thermally activated resonant magnetization tunneling in uniaxially anisotropic magnetic molecules such as Mn_12Ac (S=10) is developed.The observed slow dynamics of the system is described by master equations for the…

统计力学 · 物理学 2009-10-31 D. A. Garanin , E. M. Chudnovsky

Spin relaxation in the ultrathin metallic films of stacked microelectronic devices is investigated on the basis of a modified Landau-Lifshitz equation of micromagnetic dynamics in which the damping torque is treated as originating from the…

材料科学 · 物理学 2012-10-22 Sergey Bastrukov , Jun Yong Khoo , Boris Lukiyanchuk , Irina Molodtsova

Current-induced magnetic switching of a single magnetic molecule attached to two ferromagnetic contacts is considered theoretically, with the main emphasis put on the role of intrinsic spin relaxation processes. It is shown that…

介观与纳米尺度物理 · 物理学 2009-11-13 Maciej Misiorny , Józef Barnaś

Tunneling between the two lowest energy levels of single molecule magnets with Ising type anisotropy, accompanied by the emission or absorption of phonons, is considered. Quantitatively accurate calculations of the rates for such tunneling…

介观与纳米尺度物理 · 物理学 2015-10-05 Yun Liu , Anupam Garg

Single-molecule magnets are among the most promising platforms for achieving molecular-scale data storage and processing. Their magnetisation dynamics are determined by the interplay between electronic and vibrational degrees of freedom,…

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