相关论文: Spin-Phonon coupling parameters from maximally loc…

We study spin dynamics of a spin-Peierls chain with nearest-neighbor and next-nearest-neighbor Heisenberg spin exchange interactions together with a gapped and dispersionless phonon. The dynamical spin correlation function and phonon…

We calculate the spin relaxation rates in a parabolic InSb quantum dots due to the spin interaction with acoustical phonons. We considered the deformation potential mechanism as the dominant electron-phonon coupling in the Pavlov-Firsov…

One of the most fundamental properties of electromagnetism and special relativity is the coupling between the spin of an electron and its orbital motion. This is at the origin of the fine structure in atoms, the spin Hall effect in…

The fundamental spin-orbit coupling and spin mixing in graphene and rippled honeycomb lattice materials silicene, germanene, stanene, blue phosphorene, arsenene, antimonene, and bismuthene is investigated from first principles. The…

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…

We investigate the antiadiabatic limit of an antiferromagnetic S=1/2 Heisenberg chain coupled to Einstein phonons via a bond coupling. The flow equation method is used to decouple the spin and the phonon part of the Hamiltonian. In the…

In order to explore the consequences of spin-orbit coupling on spin-phonon interactions in a set of chemically-similar mixed metal oxides, we measured the infrared vibrational properties of Co$_4B_2$O$_9$ ($B$ = Nb, Ta) as a function of…

We analyze the properties of electron-phonon couplings in K3Picene by exploiting a molecular orbital representation derived in the maximally localized Wannier function formalism. This allows us to go beyond the analysis done in Phys. Rev.…

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…

We analyze the couplings between spins and phonons in graphene. We present a complete analysis of the possible couplings between spins and flexural, out of plane, vibrations. From tight-binding models we obtain analytical and numerical…

A unified model of molecular and atomistic spin dynamics is presented enabling simulations both in microcanonical and canonical ensembles without the necessity of additional phenomenological spin damping. Transfer of energy and angular…

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…

Optimizing the cooperativity between two distinct particles is an important feature of quantum information processing. Of particular interest is the coupling between spin and phonon, which allows for integrated long range communication…

We investigate the spin-nonconserving relaxation channel of excitons by their couplings with phonons in two-dimensional transition metal dichalcogenides using $\textit{ab initio}$ approaches. Combining $\text{GW}$-Bethe-Salpeter equation…

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…

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…

This study presents the first-ever investigation of spin-phonon coupling mechanisms in fullerene-based single-molecule magnets (SMMs) using ab initio CASSCF combined with DFT calculations. While lanthanide-based SMMs, particularly those…

First-principles calculations of the spin-orbit coupling in graphene with hydrogen adatoms in dense and dilute limits are presented. The chemisorbed hydrogen induces a giant local enhancement of spin-orbit coupling due to $sp^3$…

We propose a method for the emulation of artificial spin orbit coupling in a system of ultracold, neutral atoms trapped in a tight-binding lattice. This scheme does not involve near-resonant laser fields, avoiding the heating processes…

The naturally weak spin-orbit coupling in Graphene can be largely enhanced by adatom deposition (e.g. Weeks et al. Phys. Rev. X 1, 021001 (2011)). However, the dynamics of the adatoms also induces a coupling between phonons and the electron…