arXiv subjects

Thomas Nussle

Publications and source records attributed to Thomas Nussle.

8 recordsLinked to original sources

arXiv2025

Path integral spin dynamics with exchange and external field

In this work, we propose a path integral-inspired formalism for computing the quantum thermal expectation values of spin systems, when subject to magnetic fields that can be time-dependent and can accommodate the presence of Heisenberg exchange interactions between the spins. This is done by deriving an effective magnetic field from the quantum partition function of the system to use in classical atomistic spin dynamics simulations and generalises the formalism presented in our previous work [Phys. Rev. Research 5, 043075 (2023)]. In special cases where the effective field can be computed exactly we compare our results with exact/numerical diagonalisation methods for both ferromagnetic and antiferromagnetic coupling. We show that our method works well across a large temperature range and can reproduce quantum expectation values for antiferromagnetic coupling which is usually not possible with classical models.

quant-ph↗

arXiv2024

Path integral spin dynamics for quantum paramagnets

A path integral method, combined with atomistic spin dynamics simulations, has been developed to calculate thermal quantum expectation values using a classical approach. In this study, we show how to treat Hamiltonians with non-linear terms, that are relevant for describing uniaxial anisotropies and mechanical constraints. These interactions can be expressed solely through quadratic terms of the spin operator along one axis, that can be identified with the quantisation axis.

quant-ph↗

arXiv2023

Numerical Simulations of a Spin Dynamics Model Based on a Path Integral Approach

Inspired by path integral molecular dynamics, we build a spin model, in terms of spin coherent states, from which we can compute the quantum expectation values of a spin in a constant magnetic field, at finite temperature. This formulation facilitates the description of a discrete quantum spin system in terms of a continuous classical model and recasts the quantum spin effects within the framework of path integrals in a double $1/s$ and $\hbar s$ expansion, where $s$ is the magnitude of the spin. In particular, it allows for a much more direct path to the low- and high-temperature limits of the quantum system and to the definition of effective classical Hamiltonians that describe both thermal and quantum fluctuations. In this formalism, the quantum properties of the spins emerge as an effective anisotropy. We use atomistic spin dynamics to sample the path integral, calculate thermodynamic observables and show that our effective classical models can reproduce the thermal expectation values of the quantum system within temperature ranges relevant for studying magnetic ordering.

cond-mat.mtrl-sci↗

arXiv2019

Dynamic magnetostriction for antiferromagnets

In this paper we study the switching properties of the dynamics of magnetic moments, that interact with an elastic medium. To do so we construct a Hamiltonian framework, that can take into account the dynamics in phase space of the variables that describe the magnetic moments in a consistent way. It is convenient to describe the magnetic moments as bilinears of anticommuting variables that are their own conjugates. However, we show how it is possible to avoid having to deal directly with the anticommuting variables themselves, only using them to deduce non-trivial constraints on the magnetoelastic couplings. We construct the appropriate Poisson bracket and a geometric integration scheme, that is symplectic in the extended phase space and that allows us to study the switching properties of the magnetization, that are relevant for applications, for the case of a toy model for antiferromagnetic NiO, under external stresses. In the absence of magnetoelastic coupling, we recover the results reported in the literature and in our previous studies. In the presence of the magnetoelastic coupling, the characteristic oscillations of the mechanical system have repercussions on the Néel order parameter dynamics. This is particularly striking for the spin accumulation which is more than doubled by the coupling to the strain ; here as well, the mechanical oscillations are reflected on the magnetic dynamics. As a consequence of such a stress induced strain, the switching time of the magnetization is slightly faster and the amplitude of the magnetization enhanced.

cond-mat.mtrl-sci↗

arXiv2019

Probing magneto-elastic phenomena through an effective spin-bath coupling model

A phenomenological model is constructed, that captures the effects of coupling magnetic and elastic degrees of freedom, in the presence of external, stochastic perturbations, in terms of the interaction of magnetic moments with a bath, whose individual degrees of freedom cannot be resolved and only their mesoscopic properties are relevant. In the present work, the consequences of identifying the effects of dissipation as resulting from interactions with a bath of spins are explored, in addition to elastic, degrees of freedom. The corresponding stochastic differential equations are solved numerically and the moments of the magnetization are computed. The stochastic equations implicitly define a measure on the space of spin configurations, whose moments at equal times satisfy a hierarchy of deterministic, ordinary differential equations. Closure assumptions are used to truncate the hierarchy and the same moments are computed. We focus on the advantages and problems that each approach presents, for the approach to equilibrium and, in particular, the emergence of longitudinal damping.

cond-mat.mes-hall↗

arXiv2018

Coupling magneto-elastic Lagrangians to spin transfer torque sources

The consequences of coupling magnetic and elastic degrees of freedom, where spins and deformations are carried by point-like objects subject to local interactions, are studied, theoretically and by detailed numerical simulations. From the constrained Lagrangians we derive consistent equations of motion for the coupled dynamical variables. In order to probe the dynamics of such a system, we consider external perturbations, such as spin transfer torques for the magnetic part, and homogeneous stresses for the elastic part, associated to their corresponding damping. This approach is applied to the study of ultrafast switching processes in anti-ferromagnetic systems, which have recently attracted attention as candidates for anti-ferromagnetic spintronic devices. Our strategy is then checked in simple, but instructive, situations. We carried out numerical experiments to study, in particular, how the magnetostrictive coupling and external stresses affect the nature of the switching processes in a prototype anti-ferromagnetic material.

cond-mat.mes-hall↗

arXiv2018

A group action principle for Nambu dynamics of spin degrees of freedom

We describe a formulation of the group action principle, for linear Nambu flows, that explicitly takes into account all the defining properties of Nambu mechanics and illustrate its relevance by showing how it can be used to describe the off-shell states and superpositions thereof that define the transition amplitudes for the quantization of Larmor precession of a magnetic moment. It highlights the relation between the fluctuations of the longitudinal and transverse components of the magnetization. This formulation has been shown to be consistent with the approach that has been developed in the framework of the non commutative geometry of the 3-torus. In this way the latter can be used as a consistent discretization of the former.

cond-mat.mes-hall↗

arXiv2017

Nambu mechanics for stochastic magnetization dynamics

The Landau-Lifshitz-Gilbert (LLG) equation describes the dynamics of a damped magnetization vector that can be understood as a generalization of Larmor spin precession. The LLG equation cannot be deduced from the Hamiltonian framework, by introducing a coupling to a usual bath, but requires the introduction of additional constraints. It is shown that these constraints can be formulated elegantly and consistently in the framework of dissipative Nambu mechanics. This has many consequences for both the variational principle and for topological aspects of hidden symmetries that control conserved quantities. We particularly study how the damping terms of dissipative Nambu mechanics affect the consistent interaction of magnetic systems with stochastic reservoirs and derive a master equation for the magnetization. The proposals are supported by numerical studies using symplectic integrators that preserve the topological structure of Nambu equations. These results are compared to computations performed by direct sampling of the stochastic equations and by using closure assumptions for the moment equations, deduced from the master equation.

cond-mat.mes-hall↗