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Physical Review B

Phase-space equilibrium distributions and their applications to spin systems with nonaxially symmetric Hamiltonians

Yuri P. Kalmykov, William T. Coffey, С. В. Титов

Published Mar 13, 2008• 12 citations
Publisher

Abstract

The Fourier series representation of the equilibrium quasiprobability density function ${W}_{S}(\ensuremath{\vartheta},\ensuremath{\varphi})$ or Wigner function of spin ``orientations'' for arbitrary spin Hamiltonians in a representation (phase) space of the polar angles $(\ensuremath{\vartheta},\ensuremath{\varphi})$ (analogous to the Wigner function for translational motion) arising from the generalized coherent state representation of the density operator is evaluated explicitly for some nonaxially symmetric problems including a uniaxial paramagnet in a transverse external field, a biaxial, and a cubic system. It is shown by generalizing transition state theory to spins [i.e., calculating the escape rate using the equilibrium density function ${W}_{S}(\ensuremath{\vartheta},\ensuremath{\varphi})$ only] that one may evaluate the reversal time of the magnetization. The quantum corrections to the transition state theory escape rate equation for classical magnetic dipoles appear both in the prefactor and in the exponential part of the escape rate and exhibit a marked dependence on the spin number. Furthermore, the phase-space representation allows us to estimate the switching field curves and/or surfaces for spin systems because quantum effects in these fields can be estimated via Thiaville's geometrical method [Phys. Rev. B 61, 12221 (2000)] for the study of the magnetization reversal of single-domain ferromagnetic particles. The calculation is accomplished (just as the determination of the equilibrium quasiprobability distributions in the phase space of the polar angles) by calculating switching field curves and/or surfaces using the Weyl symbol ($c$-number representation) of the Hamiltonian operator for given magnetocrystalline-Zeeman energy terms. Examples of such calculations for various spin systems are presented. Moreover, the reversal time of the magnetization allows us to estimate thermal effects on the switching fields for spin systems.

DOI
10.1103/physrevb.77.104418

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The Fourier series representation of the equilibrium quasiprobability density function WS(\ensuremathϑ,\ensuremathφ){W}_{S}(\ensuremath{\vartheta},\ensuremath{\varphi})WS​(\ensuremathϑ,\ensuremathφ) or Wigner function of spin ``orientations'' for arbitrary spin Hamiltonians in a representation (phase) space of the polar angles (\ensuremathϑ,\ensuremathφ)(\ensuremath{\vartheta},\ensuremath{\varphi})(\ensuremathϑ,\ensuremathφ) (analogous to the Wigner function for translational motion) arising from the generalized coherent state representation of the density operator is evaluated explicitly for some nonaxially symmetric problems including a uniaxial paramagnet in a transverse external field, a biaxial, and a cubic system. It is shown by generalizing transition state theory to spins [i.e., calculating the escape rate using the equilibrium density function WS(\ensuremathϑ,\ensuremathφ){W}_{S}(\ensuremath{\vartheta},\ensuremath{\varphi})WS​(\ensuremathϑ,\ensuremathφ) only] that one may evaluate the reversal time of the magnetization. The quantum corrections to the transition state theory escape rate equation for classical magnetic dipoles appear both in the prefactor and in the exponential part of the escape rate and exhibit a marked dependence on the spin number. Furthermore, the phase-space representation allows us to estimate the switching field curves and/or surfaces for spin systems because quantum effects in these fields can be estimated via Thiaville's geometrical method [Phys. Rev. B 61, 12221 (2000)] for the study of the magnetization reversal of single-domain ferromagnetic particles. The calculation is accomplished (just as the determination of the equilibrium quasiprobability distributions in the phase space of the polar angles) by calculating switching field curves and/or surfaces using the Weyl symbol (ccc-number representation) of the Hamiltonian operator for given magnetocrystalline-Zeeman energy terms. Examples of such calculations for various spin systems are presented. Moreover, the reversal time of the magnetization allows us to estimate thermal effects on the switching fields for spin systems.
The spin system with Hamiltonian (ξ and σ are external and internal field parameters) is treated as an example of the phase space description of spin dynamics using a master equation for the quasiprobability distribution function of spin orientations in the representation (phase) space of the polar angles (analogous to the Wigner phase space distribution for translational motion). The master equation yields (via the Wigner–Stratonovich transformation of the density matrix) the solution as a Fourier series in the spherical harmonics with Fourier coefficients given by the statistical moments in a manner analogous to the classical distribution. The relaxation time of the longitudinal component of the spin can be estimated using a quantum generalization of the classical integral relaxation time via the stationary distribution and diffusion coefficient of the master equation.
A Langevin equation for the quantum Brownian motion of a spin of arbitrary size in a uniform external dc magnetic field is derived from the phase space master equation in the weak coupling and narrowing limits, for the quasiprobability distribution (Wigner) function of spin orientations in the configuration space of polar and azimuthal angles following methods long familiar in quantum optics.The closed system of differential-recurrence equations for the statistical moments describing magnetic relaxation of the spin is obtained as an example of applications of this equation.
A general spin system with a nonaxially symmetric Hamiltonian containing Jx, Jz-linear and Jz-quadratic terms, widely used in many-body fermionic and bosonic systems and in molecular magnetism, is considered for the variations of general parameters describing intensity interaction changes of each of its terms. For this model Hamiltonian, a semiclassical energy surface (ES) is obtained by means of the coherent-state formalism. An analysis of this ES function, based on catastrophe theory, determines the separatrix in the control parameter space of the system Hamiltonian: the loci of singularities representing semiclassical phase transitions. Here we show that distinct regions of qualitatively different spectrum structures, as well as a singular behavior of quantum states, are ruled by this separatrix: here we show that the separatrix not only describes ground-state singularities, which have been associated with quantum phase transitions, but also reveals the structure of the excited spectrum, distinguishing different quantum phases within the parameter space. Finally, we consider magnetic susceptibility and heat capacity of the system at finite temperature, in order to study thermal properties and thermodynamical phase transitions in the perspective of the separatrix of this Hamiltonian system.
As is well known, there are several formulations of quantum mechanics. One of them, closely connected with the Weyl representation of operators [ 1 ] and Wigner functions [ 2 ], use functions on the phase space to represent both observables and quantum states. For working in this representation it is necessary to replace operators by their Weyl symbols and density matrices by Wigner functions [ 3 , 4 ]. After fundamental works of Weyl, Wigner and Kirkwood [ 1 , 2 , 5 ] properties of the representation were studied and used to calculate the properties of various physical systems (see [ 6–23 ]), including systems with magnetic field [ 15–23 ].
Starting from Wigner's definition of the function named now after him we systematically develop different representation of this quasiprobability with emphasis on symmetric representations concerning the canonical variables ( ) , q p of phase space and using the known relation to the parity operator.One of the representations is by means of the Laguerre 2D polynomials which is particularly effective in quantum optics.For the coherent states we show that their Fourier transforms are again coherent states.We calculate the Wigner quasiprobability to the eigenstates of a particle in a square well with infinitely high impenetrable walls which is not smooth in the spatial coordinate and vanishes outside the wall boundaries.It is not well suited for the calculation of expectation values.A great place takes on the calculation of the Wigner quasiprobability for coherent phase states in quantum optics which is essentially new.We show that an unorthodox entire function plays there a role in most formulae which makes all calculations difficult.The Wigner quasiprobability for coherent phase states is calculated and graphically represented but due to the involved unorthodox function it may be considered only as illustration and is not suited for the calculation of expectation values.By another approach via the number representation of the states and using the recently developed summation formula by means of Generalized Eulerian numbers it becomes possible to calculate in approximations with good convergence the basic expectation values, in particular, the basic uncertainties which are additionally represented in graphics.Both considered examples, the square well and the coherent phase states, belong to systems with ( ) 1,1 SU symmetry with the same index 1 2 k = of unitary irreducible representations.
In Paper I of this investigation a new calculus for functions of noncommuting operators was developed, based on the notion of mapping of operators onto ccc-number functions. With the help of this calculus, a general theory is formulated, in the present paper, of phase-space representation of quantum-mechanical systems. It is shown that there is a whole class of such representations, one associated with each type of mapping, the simplest one being the well-known representation due to Weyl. For each representation, the quantum-mechanical expectation value of an operator is found to be expressible in the form of a phase-space average of classical statistical mechanics. The phase-space distribution functions are, however, not true probabilities, in general. The phase-space forms of the main quantum-mechanical equations of motion are obtained and are found to have the form of a generalized Liouville equation. The phase-space form of the Bloch equation for the density operator of a quantum system in thermal equilibrium is also derived. The generalized characteristic functions of boson systems are defined and their main properties are studied. The equations of motion for the characteristic functions are also derived. As an illustration of the theory, a generalized stochastic description of a quantized electromagnetic field is obtained.