Statistical coarse-graining as an approach to multiscale problems in magnetism

Multiscale phenomena which include several processes occuring simultaneously at different length scales and exchanging energy with each other, are widespread in magnetism. These phenomena often govern the magnetization reversal dynamics, and their correct modeling is important. In the present paper, we propose an approach to multiscale modeling of magnets, applying the ideas of coarse graining. We have analyzed the choice of the weighting function used in coarse graining, and propose an optimal form for this function. Simple tests provide evidence that this approach may be useful for modeling of realistic magnetic systems.Comment: 5 RevTeX pages, 2 figure

Effects of nonlinear sweep in the Landau-Zener-Stueckelberg effect

We study the Landau-Zener-Stueckelberg (LZS) effect for a two-level system with a time-dependent nonlinear bias field (the sweep function) W(t). Our main concern is to investigate the influence of the nonlinearity of W(t) on the probability P to remain in the initial state. The dimensionless quantity epsilon = pi Delta ^2/(2 hbar v) depends on the coupling Delta of both levels and on the sweep rate v. For fast sweep rates, i.e., epsilon << l and monotonic, analytic sweep functions linearizable in the vicinity of the resonance we find the transition probability 1-P ~= epsilon (1+a), where a>0 is the correction to the LSZ result due to the nonlinearity of the sweep. Further increase of the sweep rate with nonlinearity fixed brings the system into the nonlinear-sweep regime characterized by 1-P ~= epsilon ^gamma with gamma neq 1 depending on the type of sweep function. In case of slow sweep rates, i.e., epsilon >>1 an interesting interference phenomenon occurs. For analytic W(t) the probability P=P_0 e^-eta is determined by the singularities of sqrt{Delta ^2+W^2(t)} in the upper complex plane of t. If W(t) is close to linear, there is only one singularity, that leads to the LZS result P=e^-epsilon with important corrections to the exponent due to nonlinearity. However, for, e.g., W(t) ~ t^3 there is a pair of singularities in the upper complex plane. Interference of their contributions leads to oscillations of the prefactor P_0 that depends on the sweep rate through epsilon and turns to zero at some epsilon. Measurements of the oscillation period and of the exponential factor would allow to determine Delta, independently.Comment: 11 PR pages, 12 figures. To be published in PR

Destruction of the Kondo effect by a local measurement

We show that the local spin measurement which decoheres the localized spin in a Kondo system, suppresses the Abrikosov-Suhl resonance and destroys the Kondo effect. This happens due to elimination of the entanglement between the localized spin and the conduction electrons, and differs essentially from smearing of the resonance by dissipation. Considering decoherence by a spin bath, we predict that the Kondo effect disappears when the Kondo temperature becomes smaller than the coupling with a bath. This effect can be detected in experiments on ``quantum corrals'' or quantum dots doped by impurities with internal degrees of freedom.Comment: REVTeX4, 1 figure (EPS

Effect of local Coulomb interactions on the electronic structure and exchange interactions in Mn12 magnetic molecules

We have studied the effect of local Coulomb interactions on the electronic structure of the molecular magnet Mn12-acetate within the LDA+U approach. The account of the on-site repulsion results in a finite energy gap and an integer value of the molecule's magnetic moment, both quantities being in a good agreement with the experimental results. The resulting magnetic moments and charge states of non-equivalent manganese ions agree very well with experiments. The calculated values of the intramolecular exchange parameters depend on the molecule's spin configuration, differing by 25-30% between the ferrimagnetic ground state and the completely ferromagnetic configurations. The values of the ground-state exchange coupling parameters are in reasonable agreement with the recent data on the magnetization jumps in megagauss magnetic fields. Simple estimates show that the obtained exchange parameters can be applied, at least qualitatively, to the description of the spin excitations in Mn12-acetate.Comment: RevTeX, LaTeX2e, 4 EPS figure

Feedback Effect on Landau-Zener-Stueckelberg Transitions in Magnetic Systems

We examine the effect of the dynamics of the internal magnetic field on the staircase magnetization curves observed in large-spin molecular magnets. We show that the size of the magnetization steps depends sensitively on the intermolecular interactions, even if these are very small compared to the intra-molecular couplings.Comment: 4 pages, 3 Postscript figures; paper reorganized, conclusions modifie

Adiabatic Landau-Zener-St\"uckelberg transition with or without dissipation in low spin molecular system V15

The spin one half molecular system V15 shows no barrier against spin reversal. This makes possible direct phonon activation between the two levels. By tuning the field sweeping rate and the thermal coupling between sample and thermal reservoir we have control over the phonon-bottleneck phenomena previously reported in this system. We demonstrate adiabatic motion of molecule spins in time dependent magnetic fields and with different thermal coupling to the cryostat bath. We also discuss the origin of the zero-field tunneling splitting for a half-integer spin.Comment: to appear in Phys. Rev. B - Rapid Communication

Dipolar-controlled spin tunneling and relaxation in molecular magnets

Spin tunneling in molecular magnets controlled by dipole-dipole interactions (DDI) in the disordered state has been considered numerically on the basis of the microscopic model using the quantum mean-field approximation. In the actual case of a strong DDI spin coherence is completely lost and there is a slow relaxation of magnetization, described by t^{3/4} at short times. Fast precessing nuclear spins, included in the model microscopically, only moderately speed up the relaxation.Comment: 10 pages, 9 figures, to be published in EPJ

Dislocation-induced spin tunneling in Mn-12 acetate

Comprehensive theory of quantum spin relaxation in Mn-12 acetate crystals is developed, that takes into account imperfections of the crystal structure and is based upon the generalization of the Landau-Zener effect for incoherent tunneling from excited energy levels. It is shown that linear dislocations at plausible concentrations provide the transverse anisotropy which is the main source of tunneling in Mn-12. Local rotations of the easy axis due to dislocations result in a transverse magnetic field generated by the field applied along the c-axis of the crystal, which explains the presence of odd tunneling resonances. Long-range deformations due to dislocations produce a broad distribution of tunnel splittings. The theory predicts that at subkelvin temperatures the relaxation curves for different tunneling resonances can be scaled onto a single master curve. The magnetic relaxation in the thermally activated regime follows the stretched-exponential law with the exponent depending on the field, temperature, and concentration of defects.Comment: 17 pages, 14 figures, 1 table, submitted to PR

Electronic structure of a Mn12 molecular magnet: Theory and experiment

金沢大学大学院自然科学研究科物質情報解析We used site-selective and element-specific resonant inelastic x-ray scattering (RIXS) to study the electronic structure and the electron interaction effects in the molecular magnet [Mn12 O12 (C H3 COO)16 (H2 O)4] 2C H3 COOH 4 H2 O, and compared the experimental data with the results of local spin density approximation +U electron structure calculations which include the on-site Coulomb interactions. We found a good agreement between theory and experiment for the Coulomb repulsion parameter U=4 eV. In particular, the p-d band separation of 1.8 eV has been found from the RIXS spectra, which is in accordance with the calculations. Similarly, the positions of the peaks in the XPS spectra agree with the calculated densities of p and d states. Using the results of the electronic structure calculations, we determined the intramolecular exchange parameters, and used them for diagonalization of the Mn12 spin Hamiltonian. The calculated exchanges gave the correct ground state with the total spin S=10. © 2007 The American Physical Society

Finite-time destruction of entanglement and non-locality by environmental influences

Entanglement and non-locality are non-classical global characteristics of quantum states important to the foundations of quantum mechanics. Recent investigations have shown that environmental noise, even when it is entirely local in influence, can destroy both of these properties in finite time despite giving rise to full quantum state decoherence only in the infinite time limit. These investigations, which have been carried out in a range of theoretical and experimental situations, are reviewed here.Comment: 27 pages, 6 figures, review article to appear in Foundations of Physic