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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 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

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…

Spin-phonon relaxation due to two-phonon processes of a spin cluster embedded in an elastic medium has been studied. For the case of uniaxial anisotropy, relaxation rates due to Raman processes and processes involving the emission of two…

统计力学 · 物理学 2008-05-05 C. Calero , E. M. Chudnovsky , D. A. Garanin

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-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

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

Understanding the effect of vibrations on the relaxation process of individual spins is crucial for implementing nano systems for quantum information and quantum metrology applications. In this work, we present a theoretical microscopic…

介观与纳米尺度物理 · 物理学 2018-03-28 A. Norambuena , E. Muñoz , H. T. Dinani , A. Jarmola , P. Maletinsky , D. Budker , J. R. Maze

Exponential and power law temperature dependences are widely used to fit experimental data of magnetic relaxation time in single molecular magnets. We derived a theory to show how these rules arise from the underling relaxation mechanisms…

介观与纳米尺度物理 · 物理学 2020-09-16 Lei Gu , Ruqian Wu

We report measurements of room-temperature spin-relaxation times $T_1$ and $T_2$ of charge-carrier spins in a $\pi$-conjugated polymer thin film under bipolar injection and low ($1\mbox{ mT}\lesssim B_0\lesssim 10\mbox{ mT}$) static…

介观与纳米尺度物理 · 物理学 2024-02-27 T. H. Tennahewa , S. Hosseinzadeh , S. I. Atwood , H. Popli , H. Malissa , J. M. Lupton , C. Boehme

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

Spin-lattice relaxation within the nitrogen-vacancy (NV) center's electronic ground-state spin triplet limits its coherence times, and thereby impacts its performance in quantum applications. We report measurements of the relaxation rates…

Spin-lattice relaxation is a key open problem to understand the spin dynamics of single-molecule magnets and molecular spin qubits. While modelling the coupling between spin states and local vibrations allows to determine the more relevant…

原子与分子团簇 · 物理学 2021-11-08 Aman Ullah , José J. Baldoví , Alejandro Gaita-Ariño , Eugenio Coronado

We investigate theoretically spin relaxation in heavy hole quantum dots in low external magnetic fields. We demonstrate that two-phonon processes and spin-orbit interaction are experimentally relevant and provide an explanation for the…

介观与纳米尺度物理 · 物理学 2013-05-29 Mircea Trif , Pascal Simon , Daniel Loss

A general expression is derived for the dipolar NMR spin-lattice relaxation rate $1/T_1$ of a system exhibiting Brownian dynamics in a discrete and finite configuration space. It is shown that this approach can be particularly useful to…

化学物理 · 物理学 2015-07-07 P. Wzietek

Understanding and controlling spin relaxation in molecular qubits is essential for developing chemically tunable quantum information platforms. We present a fully first-principles framework for computing the spin relaxation tensor in a…

量子物理 · 物理学 2025-07-25 Roman Dmitriev , Nosheen Younas , Yu Zhang , Andrei Piryatinski , Eric R. Bittner

Spin-lattice relaxation theory has been developed over almost a century, but some cardinal assumptions on the nature of the interactions involved have never been fully verified. This includes the weak coupling approximation, which makes it…

量子物理 · 物理学 2026-03-06 Nilanjana Chanda , Alessandro Lunghi

The coordination complexes of Yb(III) exhibit some of the longest spin coherence times among 4f compounds, making them a promising platform for molecular quantum technologies. While spin-phonon relaxation remains a limiting factor for…

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

An atomistic method of calculating the spin-lattice relaxation times ($T_1$) is presented for donors in silicon nanostructures comprising of millions of atoms. The method takes into account the full band structure of silicon including the…

介观与纳米尺度物理 · 物理学 2015-01-19 Yu-Ling Hsueh , Holger Büch , Yaohua Tan , Yu Wang , Lloyd C. L. Hollenberg , Gerhard Klimeck , Michelle Y. Simmons , Rajib Rahman
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