Julio F. Fernández

Ordering of dipolar Ising crystals

We study Ising systems of spins with dipolar interactions. We find a simple approximate relation for the interaction energy between pairs of parallel lattice columns of spins running along the Ising spin direction. This relation provides insight into the relation between lattice geometry and the nature of the ordered state. It can be used to calculate ground state energies. We have also obtained ground state energies and ordering temperatures T_0 from Monte Carlo simulations. Simple empirical relations, that give T_0 for simple and body centered tetragonal lattices in terms of lattice parameters are also established. Finally, the nature of the ordered state and T_0 are determined for Fe_8 clusters, which crystallize on a triclinic lattice.

Long-Range Ferromagnetic Dipolar Ordering of High-Spin Molecular Clusters

We report the first example of a transition to long-range magnetic order in a purely dipolarly interacting molecular magnet. For the magnetic cluster compound Mn6O4Br4(Et2dbm)6, the anisotropy experienced by the total spin S = 12 of each cluster is so small that spin-lattice relaxation remains fast down to the lowest temperatures, thus enabling dipolar order to occur within experimental times at T(c) = 0.16 K. In high magnetic fields, the relaxation rate becomes drastically reduced and the interplay between nuclear- and electron-spin lattice relaxation is revealed.

Magnetization Process of Single Molecule Magnets at Low Temperatures

We show that correlations established before quenching to very low temperatures, later drive the magnetization process of systems of single molecule magnets, after a magnetic field is applied at t=0. We also show that in SC lattices, m \propto sqrt(t), as observed in Fe_8, but only for 1+2*log_10(h_d/h_w) time decades, where h_d is a nearest neighbor dipolar magnetic field and a spin reversal can occur only if the field on it is within (-h_w,h_w). However, the sqrt(t) behavior is not universal. For BCC and FCC lattices, m \propto t^p, but p \simeq 0.7. The value to which m finally levels off is also given.

Magnetic dipolar ordering and relaxation in the high-spin molecular cluster compound Mn6

Few examples of magnetic systems displaying a transition to pure dipolar magnetic order are known to date, and single-molecule magnets can provide an interesting example. The molecular cluster spins and thus their dipolar interaction energy can be quite high, leading to reasonably accessible ordering temperatures, provided the crystal field anisotropy is sufficiently small. This condition can be met for molecular clusters of sufficiently high symmetry, as for the Mn6 compound studied here. Magnetic specific heat and susceptibility experiments show a transition to ferromagnetic dipolar order at T_{c} = 0.16 K. Classical Monte-Carlo calculations indeed predict ferromagnetic ordering and account for the correct value of T_{c}. In high magnetic fields we detected the contribution of the ^{55}Mn nuclei to the specific heat, and the characteristic timescale of nuclear relaxation. This was compared with results obtained directly from pulse-NMR experiments. The data are in good mutual agreement and can be well described by the theory for magnetic relaxation in highly polarized paramagnetic crystals and for dynamic nuclear polarization, which we extensively review. The experiments provide an interesting comparison with the recently investigated nuclear spin dynamics in the anisotropic single molecule magnet Mn12-ac.

Algorithm for normal random numbers

We propose a simple algorithm for generating normally distributed pseudorandom numbers. The algorithm simulates N molecules that exchange energy among themselves following a simple stochastic rule. We prove that the system is ergodic, and that a Maxwell-like distribution that may be used as a source of normally distributed random deviates follows in the N-->infinity limit. The algorithm passes various performance tests, including Monte Carlo simulation of a finite two-dimensional Ising model using Wolffs algorithm. It only requires four simple lines of computer code, and is approximately ten times faster than the Box-Muller algorithm.

Theoretical simulation of the anisotropic phases of antiferromagnetic thin films

We simulate antiferromagnetic thin films. Dipole-dipole and antiferromagnetic exchange interactions as well as uniaxial and quadrupolar anisotropies are taken into account. Various phases unfold as the corresponding parameters, J, D and C, as well as the temperature T and the number n of film layers vary. We find (1) how the strength Delta_m of the anisotropy arising from dipole-dipole interactions varies with the number of layers m away from the films surface, with J and with n; (2) a unified phase diagram for all n-layer films and bulk systems; (3) a layer dependent spin reorientation (SR) phase in which spins rotate continuously as T, D, C and n vary; (4) that the ratio of the SR to the ordering temperature depends (approximately) on n only through (D+Delta/n)/C, and hardly on J; (5) a phase transformation between two different magnetic orderings, in which spin orientations may or may not change, for some values of J, by varying n.

VAN DER WAALS LOOPS AND THE MELTING TRANSITION IN TWO DIMENSIONS

Evidence for the existence of van der Waals loops in pressure p versus volume v plots has for some time supported the belief that melting in two dimensions is a first order phase transition. We report rather accurate equilibrium p(v) curves for systems of hard disks obtained from long Monte Carlo simulations. These curves, obtained in the constant volume ensemble, using periodic boundary conditions, exhibit well defined van der Waals loops. We illustrate their existence for finite systems that are known to undergo a continuous transition in the thermodynamic limit. To this end, we obtain magnetization m versus applied field curves from Monte Carlo simulations of the 2D Ising model, in the constant m ensemble, at the critical point. Whether van der Waals loops for disk systems behave in the thermodynamic limit as they do for the 2D Ising model at the critical point cannot be ruled out. Thus, the often made claim that melting in 2D is a first order phase transition, based on the evidence that van der Waals loops exist, is not sound.

Fast algorithms for random numbers with exponential and normal distributions

We report new algorithms for the generation of pseudorandom numbers with normal and exponential distributions. No transcendental functions need to be evaluated. No tables are needed. These algorithms are inspired by some fundamental schemes of statistical physics. Our normal random number generator is an order of magnitude times faster than Box–Muller’s algorithm. Our exponential random number generator is several times faster than taking the logarithm of a uniform random deviate and than von Neumann’s algorithm.

Monte Carlo study of the spin-glass phase of the site-diluted dipolar Ising model

By tempered Monte Carlo simulations, we study site-diluted Ising systems of magnetic dipoles. All dipoles are randomly placed on a fraction

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