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Journal of Physics A Mathematical and Theoretical

A discrete finite-dimensional phase space approach for the description of Fe8 magnetic clusters: Wigner and Husimi functions

Evandro C. Silva, D. Galetti

Published Mar 4, 2009• 4 citations
Publisher

Abstract

A discrete quantum phase space formalism is used to discuss some basic aspects of the spin tunnelling which occurs in Fe8 magnetic clusters by means of Wigner functions as well as Husimi distributions. Those functions were obtained for sharp angle states and symmetric combinations of the lowest energy doublet—the particular tunnelling energy doublet—with the application of an external magnetic field. The time evolution of those functions carried out numerically allows one to extract valuable information about the dynamics of the states under consideration, in particular, the coherent oscillations associated with the particular energy doublet.

DOI
10.1088/1751-8113/42/13/135302

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A discrete quantum phase space formalism is used to discuss some basic aspects of the spin tunnelling which occurs in Fe8 magnetic clusters by means of Wigner functions as well as Husimi distributions. Those functions were obtained for sharp angle states and symmetric combinations of the lowest energy doublet—the particular tunnelling energy doublet—with the application of an external magnetic field. The time evolution of those functions carried out numerically allows one to extract valuable information about the dynamics of the states under consideration, in particular, the coherent oscillations associated with the particular energy doublet.
Discrete quantum phase space formalism is used to discuss some basic aspects of the spin tunneling occurring in Fe8 magnetic cluster by means of Wigner functions as well as Husimi distributions. Those functions were obtained for sharp angle states and symmetric combinations of the lowest energy doublet with the application of an external magnetic field. The time evolution of those functions carried out numerically allows one to extract valuable information about the dynamics of the states under consideration, in particular, the coherent oscillations associated with the spin tunneling. It is also shown that an entropy functional constructed out of the discrete Husimi distribution function allows to characterize the spin tunneling.
We have used an angle-based description and the quantum discrete phase space formalism to characterize Fe8 cluster properties. Through the angle-based approach we have calculated the the ground state barrier height, the energy splitting of the two lowest levels, the crossover temperature, the matching and the saturation magnetic field intensities. With the quantum phase space approach we also have used the energy splitting in order to study the spin tunneling of the lowest energy levels, a qualitative and a quantitative way to show the correlations between the angle and angular momentum variables via the Wigner and Husimi functions
We show how quasiprobability distribution functions defined over N2{N}^{2}N2-dimensional discrete phase spaces can be used to treat physical systems described by a finite space of states which exhibit spin-tunneling effects. This particular approach is then applied to the Lipkin-Meshkov-Glick model in order to obtain the time evolution of the discrete Husimi function, and as a by-product the energy gap for a symmetric combination of ground and first excited states. Moreover, we also show how an angle-based potential approach can be efficiently employed to explain qualitatively certain features of the energy gap in terms of a spin tunneling. Entropy functionals are also discussed in this context. Such results reinforce not only the formalism per se but also the possibility of some future potential applications in other branches of physics.
Starting from a phenomenological Hamiltonian originally written in terms of angular momentum operators we derive a new quantum angle-based Hamiltonian that allows for a discussion on the quantum spin tunneling. The study of the applicability of the present approach, carried out in calculations with a soluble quasi-spin model, shows that we are allowed to use our method in the description of physical systems such as the Mn12-acetate molecule, as well as the octanuclear iron cluster, Fe8, in a reliable way. With the present description the interpretation of the spin tunneling is seen to be direct, the spectra and energy barriers of those systems are obtained, and it is shown that they agree with the experimental ones.
The discrete phase space approach to quantum mechanics of degrees of freedom without classical counterparts is applied to the many-fermions/quasi-spin Lipkin model. The Wigner function is written for some chosen states associated to discrete angle and angular momentum variables, and the time evolution is numerically calculated using the discrete von Neumann-Liouville equation. Direct evidences in the time evolution of the Wigner function are extracted that identify a tunnelling effect. A connection with a SU (2)-based semiclassical continuous approach to the Lipkin model is also presented.
We compare quantum phase space distributions of individual quantum states of the diamagnetic hydrogen atom obtained by means of Wigner functions with those given by Husimi functions. The comparison is carried out at effective h(cross) approximately 0.035 and at a fixed scaled energy ( epsilon =-0.316) which corresponds to an especially interesting mixed classical phase-space structure. The object of the comparison is to establish which of the two distributions best correlates with the classical Poincare surface of section for a representative set of single states. As expected, the states investigated display the strongest positive intensity on a single local invariant phase-space structure (such as a scar or torus) and at this level there is little difference between the Husimi and the Wigner function. However the weak structures (fringes of the Wigner function or zeros of the Husimi function) are shown here to be radically different for the Wigner relative to the Husimi representation. In both cases the weak structures permeate all of phase space. In addition they show different character for integrable and chaotic dynamics and so reflect the global structure of phase-space to a much greater extent than the localized strong structure. The Wigner functions of selected states are shown to have additional dynamically significant structures which are not apparent in the Husimi functions. These include negative intensity features seen in the Wigner-but not the Husimi-functions which are very well correlated with structures of the classical Poincare surfaces of section. Despite its complex oscillatory nature the Wigner function delineates better classical features, for example showing the outline of islands of stability avoided by states supported by chaotic regions with greater sharpness than the Husimi function.