Spirit: Multifunctional Framework for Atomistic Spin Simulations

Abstract

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 interface. An extended Heisenberg type spin-lattice Hamiltonian including competing exchange interactions between neighbors at arbitrary distance, higher-order exchange, Dzyaloshinskii-Moriya and dipole-dipole interactions is used to describe the energetics of a system of classical spins localised at atom positions. A variety of common simulations methods are implemented including Monte Carlo and various time evolution algorithms based on the Landau-Lifshitz-Gilbert equation of motion, which can be used to determine static ground state and metastable spin configurations, sample equilibrium and finite temperature thermodynamical properties of magnetic materials and nanostructures or calculate dynamical trajectories including spin torques induced by stochastic temperature or electric current. Methods for finding the mechanism and rate of thermally assisted transitions include the geodesic nudged elastic band method, which can be applied when both initial and final states are specified, and the minimum mode following method when only the initial state is given. The lifetime of magnetic states and rate of transitions can be evaluated within the harmonic approximation of transition-state theory. The framework offers performant CPU and GPU parallelizations. All methods are verified and applications to several systems, such as vortices, domain walls, skyrmions and bobbers are described.

References in corpus (22)

• Spintronics: Fundamentals and applications
• The design and verification of Mumax3
• Exchange Monte Carlo Method and Application to Spin Glass Simulations
• Atomistic spin model simulations of magnetic nanomaterials
• AiiDA: Automated Interactive Infrastructure and Database for Computational Science
• A method for atomistic spin dynamics simulations: implementation and examples
• Experimental observation of magnetic bobbers for a new concept of magnetic solid-state memory
• Antiskyrmions stabilized at interfaces by anisotropic Dzyaloshinskii-Moriya interaction
• New type of stable particle like states in chiral magnets (Chiral bobbers)
• Method for finding mechanism and activation energy of magnetic transitions, applied to skyrmion and antivortex annihilation
• Binding a Hopfion in Chiral Magnet Nanodisk
• Chiral Magnetic Skyrmions with Arbitrary Topological Charge ("skyrmionic sacks")
• Interaction of Individual Skyrmions in Nanostructured Cubic Chiral Magnet
• Stable and fast semi-implicit integration of the stochastic Landau-Lifshitz equation
• Thermal stability of metastable magnetic skyrmions: Entropic narrowing and significance of internal eigenmodes
• Skyrmion lifetimes in ultrathin films
• B-T phase diagram of Pd/Fe/Ir(111) computed with parallel tempering Monte Carlo
• Controlled creation and stability of kπ-skyrmions on a discrete lattice
• Duplication, collapse and escape of magnetic skyrmions revealed using a systematic saddle point search method
• Distinct magnetotransport and orbital fingerprints of chiral bobbers
• Thermally activated magnetization reversal in monoatomic magnetic chains on surfaces studied by classical atomistic spin-dynamics simulations
• Langevin spin dynamics based on ab initio calculations: numerical schemes and applications

Cited by in corpus (70)

• Magnetic Skyrmion State in Janus Monolayers of Chromium Trihalides Cr(I,X)3
• Skyrmionic Spin Structures in Layered Fe5GeTe2 Up To Room Temperature
• Strain-tunable Dzyaloshinskii--Moriya interaction and skyrmions in two-dimensional Janus Cr${}_2$X${}_3$Y${}_3$ (X, Y = Cl, Br, I, X $\ne$ Y) trihalide monolayers
• The chiral Hall effect of magnetic skyrmions from a cyclic cohomology approach
• Mechanisms of skyrmion collapse revealed by sub-nm maps of the transition rate
• Distinctive magnetic properties of CrI3 and CrBr3 monolayers caused by spin-orbit coupling
• Fermi-surface origin of skyrmion lattices in centrosymmetric rare-earth intermetallics
• Coupled quasimonopoles in chiral magnets
• Atomically sharp domain walls in an antiferromagnet
• Nonreciprocity of spin waves in noncollinear magnets due to the Dzyaloshinskii-Moriya interaction
• Modeling coupled spin and lattice dynamics
• Emergent Magneto-multipoles and Nonlinear Responses of a Magnetic Hopfion
• Non-Collinear Spin Current for Switching of Chiral Magnetic Textures
• Tunable room temperature magnetic skyrmions in centrosymmetric kagome magnet Mn${}_4$Ga${}_2$Sn
• On quantifying the topological charge in micromagnetics using a lattice-based approach
• Giant topological and planar Hall effect in Cr${}_{1/3}$NbS${}_2$
• Modelling spin waves in noncollinear antiferromagnets: spin-flop states, spin spirals, skyrmions and antiskyrmions
• Atomistic perspective of long lifetimes of small skyrmions at room temperature
• Emergence of zero-field non-synthetic single and interchanged antiferromagnetic skyrmions in thin films
• Complex magnetic structure and spin waves of the noncollinear antiferromagnet Mn5Si3
• Size and temperature dependent magnetization of iron nanoclusters
• Stacking-dependent topological magnons in bilayer CrI${}_3$
• Plane wave implementation of the magnetic force theorem for magnetic exchange constants: Application to bulk Fe, Co and Ni
• Material systems for FM-/AFM-coupled skyrmions in Co/Pt-based multilayers
• Tuneable terahertz oscillation arising from Bloch-point dynamics in chiral magnets
• Manipulation of magnetic topological textures via perpendicular strain and polarization in van der Waals magnetoelectric heterostructure
• Magnetic domain walls of the van der Waals material Fe${}_3$GeTe${}_2$
• Enhanced Curie temperature and skyrmion stability in room temperature ferromagnetic semiconductor CrISe monolayer
• Mutual conversion between a magnetic Neel hopfion and a Neel toron
• Efficient Optimization Method for Finding Minimum Energy Paths of Magnetic Transitions
• 2D ferromagnetism at finite temperatures under quantum scrutiny
• Two-dimensional 5d multiferroic W3Cl8: breathing Kagome lattice and tunable magneto-optical Kerr effect
• Effective decoupling of ferromagnetic sublattices by frustration in Heusler alloys
• Stability of Hopfions in Bulk Magnets with Competing Exchange Interactions
• Noncollinear magnetism in two-dimensional CrTe${}_2$
• Tailed skyrmions -- an obscure branch of magnetic solitons
• Homotopy transitions and 3D magnetic solitons
• Driving spin chirality by electron dynamics in laser-excited antiferromagnets
• Prediction of confined and controllable Bloch points in nanocubes of chiral magnets
• Symmetry-breaking pathway towards the unpinned broken helix
• Computation of magnetization, exchange stiffness, anisotropy, and susceptibilities in large-scale systems using GPU-accelerated atomistic parallel Monte Carlo algorithms
• Three-dimensional structure and formation mechanism of biskyrmions in uniaxial ferromagnets
• A spin model for intrinsic antiferromagnetic skyrmions on a triangular lattice
• Topological energy barrier for skyrmion lattice formation in MnSi
• Tailoring High-Frequency Magnonics in Monolayer Chromium Trihalides
• Thermal Transport Properties of Magnons on the $\alpha$-T${}_3$ Lattice
• Soft X-ray Vortex Beam detected by In-line Holography
• Complex magnetism of the two-dimensional antiferromagnetic Ge2F: from a Néel spin-texture to a potential antiferromagnetic skyrmion
• Generalised form of the magnetic anisotropy field in micromagnetic and atomistic spin models
• Magnetic skyrmion generation by reflective spin-wave focusing
• Dynamics of spin relaxation in nonequilibrium magnetic nanojunctions
• Eigenmodes of magnetic skyrmion lattices
• Magnetization Dynamics in Quasiperiodic Magnonic Crystals
• A High-Performance Implementation of Atomistic Spin Dynamics Simulations on x86 CPUs
• Magnetoelectric imprint of skyrmions in van der Waals bilayers
• Spin structures and phase diagrams of the spin-$\frac{5}{2}$ triangular-lattice antiferromagnet Na${}_2$BaMn(PO${}_4$)${}_2$ under magnetic field
• The AiiDA-Spirit plugin for automated spin-dynamics simulations and multi-scale modelling based on first-principles calculations
• Spin textures in chiral magnetic monolayers with suppressed nearest-neighbor exchange
• From strong to weak correlations in breathing-mode kagome van der Waals materials: Nb${}_3$(F,Cl,Br,I)${}_8$ as a robust and versatile platform for many-body engineering
• Genetic-tunneling driven energy optimizer for spin systems
• Skyrmion-Antiskyrmion Lattice: A Net-Zero Topological Phase in Low-Symmetry Frustrated Chiral Magnets
• Linked skyrmions in shifted magnetic bilayer
• Multiscale approach for modeling magnetization properties of inhomogeneous ultrathin magnetic layers
• Magnetic Bloch-point hopping in multilayer skyrmions and associated emergent electromagnetic signatures
• Hydrogen toggling between Yoshimori spin spirals and elliptical Dzyaloshinskii-Moriya skyrmions in Fe on Ir(110)
• Paradoxical Topological Soliton Lattice in Anisotropic Frustrated Chiral Magnets
• Giant Dzyaloshinskii-Moriya interaction and ratchet motion of bimeronic excitations in two-dimensional magnets
• Crescent domain-wall pairs in anisotropic two-dimensional MnOI monolayer with fast dynamics
• Computational Frameworks for Patterned Two-Dimensional Magnetism
• Antitopological magnetic textures in an antiferromagnetically coupled bilayer with frustration