Related papers: Accounting for Quantum Effects in Atomistic Spin D…
The accurate prediction of temperature-dependent magnetization dynamics is a fundamental challenge in computational magnetism. While Atomistic Spin Dynamics (ASD) simulations have emerged as a powerful tool for studying magnetic phenomena,…
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…
We present a method for performing atomistic spin dynamic simulations. A comprehensive summary of all pertinent details for performing the simulations such as equations of motions, models for including temperature, methods of extracting…
Atomistic spin model simulations are immensely useful in determining temperature dependent magnetic prop- erties, but are known to give the incorrect dependence of the magnetization on temperature compared to exper- iment owing to their…
We investigate the magnetic properties of a range of low-dimensional ferromagnets using a combination of first-principles calculations and atomistic spin dynamics simulations. This approach allows us to evaluate the ground state and finite…
We have performed realistic atomistic simulations at finite temperatures using Monte Carlo and atomistic spin dynamics simulations incorporating quantum (Bose-Einstein) statistics. The description is much improved at low temperatures…
In this paper a formalism for studying the dynamics of quantum systems coupled to classical spin environments is reviewed. The theory is based on generalized antisymmetric brackets and naturally predicts open-path off-diagonal geometric…
The physics of interacting nuclear spins arranged in a crystalline lattice is typically described using a thermodynamic framework: a variety of experimental studies in bulk solid-state systems have proven the concept of a spin temperature…
Using the framework of semi-classical Landau-Lifshitz dynamics (LLD), we conduct a systematic investigation of the temperature-dependent spin dynamics in the S = 1/2 Heisenberg square-lattice antiferromagnet (SqAF). By performing inelastic…
Atomistic modelling of magnetic materials provides unprecedented detail about the underlying physical processes that govern their macroscopic properties, and allows the simulation of complex effects such as surface anisotropy, ultrafast…
Simulating quantum spin systems at finite temperatures is an open challenge in many-body physics. This work studies the temperature-dependent spin dynamics of a pivotal compound, FeI$_2$, to determine if universal quantum effects can be…
We consider quantum-to-classical mapping for an arbitrary system of interacting spins at finite temperatures. We prove that, in the large-$S$ limit, the asymptotic form of the partition function coincides with that of a classical model for…
We present a new approach to study the thermodynamic properties of $d$-dimensional classical systems by reducing the problem to the computation of ground state properties of a $d$-dimensional quantum model. This classical-to-quantum mapping…
The dynamics of spin-boson systems at very low temperatures has been studied using a real-time path-integral simulation technique which combines a stochastic Monte Carlo sampling over the quantum fluctuations with an exact treatment of the…
Quantum thermodynamics is a powerful theoretical tool for assessing the suitability of quantum materials as platforms for novel technologies. In particular, the modeling of quantum cycles allows us to investigate the heat changes and work…
We consider integrable quantum spin chains with alternating spins (S_1,S_2). We derive a finite set of non-linear integral equations for the thermodynamics of these models by use of the quantum transfer matrix approach. Numerical solutions…
A nonlinear dynamics semi-classical model is used to show that standard quantum spin analysis can be obtained. The model includes a classically driven nonlinear differential equation with dissipation and a semi-classical interpretation of…
First-principles calculations of high-temperature spin dynamics in solids in the context of nuclear magnetic resonance (NMR) is a long-standing problem, whose conclusive solution can significantly advance the applications of NMR as a…
We calculate the real time non-equilibrium dynamics of quantum spin systems at finite temperatures. The mathematical framework originates from the $C^*$-approach to quantum statistical mechanics and is applied to samples investigated by…
The \textit{Spirit} framework is designed for atomic scale spin simulations of magnetic systems of arbitrary geometry and magnetic structure, providing a graphical user interface with powerful visualizations and an easy to use scripting…