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arXiv:2204.07563 · Physical review. B./Physical review. B

Geometric integration of classical spin dynamics via a mean-field Schrödinger equation

David Dahlbom, Hao Zhang, Cole Miles, Xiaojian Bai, Cristian D. Batista, Kipton M. Barros

Published Aug 19, 2022• 35 citations
arXivHTMLPDF

Abstract

The Landau-Lifshitz equation describes the time evolution of magnetic dipoles and can be derived by taking the classical limit of a quantum mechanical spin Hamiltonian. To take this limit, one constrains the many-body quantum state to a tensor product of coherent states, thereby neglecting entanglement between sites. Expectation values of the quantum spin operators produce the usual classical spin dipoles. One may also consider expectation values of polynomials of the spin operators, leading to quadrupole and higher-order spin moments, which satisfy a dynamical equation of motion that generalizes the Landau-Lifshitz dynamics [Zhang and Batista, Phys. Rev. B 104, 104409 (2021)]. Here we reformulate the dynamics of these ${N}^{2}\ensuremath{-}1$ generalized spin components as a mean-field Schr\"odinger equation on the $N$-dimensional coherent state. This viewpoint suggests efficient integration methods that respect the local symplectic structure of the classical spin dynamics.

DOI
10.1103/physrevb.106.054423

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The Landau-Lifshitz equation describes the time evolution of magnetic dipoles and can be derived by taking the classical limit of a quantum mechanical spin Hamiltonian. To take this limit, one constrains the many-body quantum state to a tensor product of coherent states, thereby neglecting entanglement between sites. Expectation values of the quantum spin operators produce the usual classical spin dipoles. One may also consider expectation values of polynomials of the spin operators, leading to quadrupole and higher-order spin moments, which satisfy a dynamical equation of motion that generalizes the Landau-Lifshitz dynamics [Zhang and Batista, Phys. Rev. B 104, 104409 (2021)]. Here we reformulate the dynamics of these N2\ensuremath−1{N}^{2}\ensuremath{-}1N2\ensuremath−1 generalized spin components as a mean-field Schr"odinger equation on the NNN-dimensional coherent state. This viewpoint suggests efficient integration methods that respect the local symplectic structure of the classical spin dynamics.
The classical Landau-Lifshitz equation with a damping term has been derived from the time evolution of a quantum mechanical wave function under the assumption of a non-Hermitian Hamilton operator. Further, the trajectory of a classical spin (S) has been compared with the expectation value of the spin operator (Ŝ). A good agreement between classical and quantum mechanical trajectories can be found for Hamiltonians linear in Ŝ or S, respectively. Quadratic or higher order terms in the Hamiltonian result in a disagreement.
We introduce a distinct route for extending classical atomistic spin dynamics into the quantum regime for arbitrary spin sss, based on a variational product-state \textit{ansatz} that includes both pure and mixed local states. By construction, intersite entanglement -- expected to remain negligible even on very short time scales in many real materials -- is excluded, while local quantum effects are retained through the nonclassical structure of s≥1s\geq 1s≥1 density operators. Nonlinear dynamics arise from both the mean-field interdependence of the local states and the state-dependent dissipative terms. The framework recovers classical spin dynamics for s=12s=\frac{1}{2}s=21​ while allowing genuinely quantum local dynamics for higher spins. It clarifies the variational and geometric origin of the inequivalence between quantum Landau-Lifshitz and Landau-Lifshitz-Gilbert dynamics, provides a criterion for their equivalence under a common time rescaling, establishes connections with the classical theory through two qualitatively distinct limits (s→∞s\to\inftys→∞ and a large number of quantum spins NNN), and allows realistic O(N)\mathcal{O}(N)O(N) simulations of quantum spin dynamics in materials.
The classical Landau-Lifshitz equation has been derived from quantum mechanics. Starting point is the assumption of a non-Hermitian Hamilton operator to take the energy dissipation into account. The corresponding quantum mechanical time dependent Schrödinger, Liouville and Heisenberg equation have been described and the similarities and differences between classical and quantum mechanical spin dynamics have been discussed. Furthermore, a time dependent Schrödinger equation corresponding to the classical Landau-Lifshitz-Gilbert equation and two ways to include temperature into the quantum mechanical spin dynamics have been proposed.
The classical Landau–Lifshitz–Gilbert (LLG) equation has long served as a cornerstone for modeling magnetization dynamics in magnetic systems, yet its classical nature limits its applicability to inherently quantum phenomena such as entanglement and nonlocal correlations. Inspired by the need to incorporate quantum effects into spin dynamics, recently a quantum generalization of the LLG equation is proposed [Phys. Rev. Lett. 133, 266704 (2024)] which captures essential quantum behavior in many-body systems. In this work, we develop a robust numerical methodology tailored to this quantum LLG framework that not only handles the complexity of quantum many-body systems but also preserves the intrinsic mathematical structures and physical properties dictated by the equation. We apply the proposed method to a class of quantum systems with a moderate number of spins that host host topological states of matter, and demonstrate rich quantum behavior, including the emergence of long-time entangled states. This approach opens a pathway toward reliable simulations of quantum magnetism beyond classical approximations, potentially leading to new discoveries.
The Landau-Lifshitz-Gilbert (LLG) equation provides the fundamental description of dissipative magnetization dynamics. A recently proposed quantum analog, the quantum Landau-Lifshitz-Gilbert (QLLG) equation, extends this framework to quantum spin systems. However, whether the QLLG equation recovers the LLG equation in the classical large-spin limit for interacting spin systems remains an open question. Here, we demonstrate this connection by deriving the LLG equation as the classical large-spin limit of the QLLG equation. We establish this correspondence analytically and verify it numerically for an interacting spin system. These results provide a quantum-to-classical description of dissipative spin dynamics, offering a microscopic foundation for the LLG equation. From numerical calculations provided here, we also conclude that quantum effects become much less noticeable for systems with larger number of spins in the Hamiltonian.
The Landau-Lifshitz-Gilbert (LLG) and Landau-Lifshitz (LL) equations play an essential role for describing the dynamics of magnetization in solids. While a quantum analog of the LL dynamics has been proposed in [Phys. Rev. Lett. 110, 147201 (2013)PRLTAO0031-900710.1103/PhysRevLett.110.147201], the corresponding quantum version of LLG remains unknown. Here, we propose such a quantum LLG equation that inherently conserves purity of the quantum state. We examine the quantum LLG dynamics of a dimer consisting of two interacting spin-1/2 particles. Our analysis reveals that, in the case of ferromagnetic coupling, the evolution of initially uncorrelated spins mirrors the classical LLG dynamics. However, in the antiferromagnetic scenario, we observe pronounced deviations from classical behavior, underscoring the unique dynamics of becoming a spinless state, which is nonlocally correlated. Moreover, when considering spins that are initially entangled, our study uncovers an unusual form of revival-type quantum correlation dynamics, which differs significantly from what is typically seen in open quantum systems.