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Register a new userAccelerating spin-space sampling by auxiliary spin-dynamics and temperature-dependent spin-cluster expansion
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Atomistic simulations of thermodynamic properties of magnetic materials rely on an accurate modelling of magnetic interactions and an efficient sampling of the high-dimensional spin space. Recent years have seen significant progress with a clear trend from model systems to material specific simulations that are usually based on electronic-structure methods. Here we develop a Hamiltonian Monte Carlo framework that makes use of auxiliary spin-dynamics and an auxiliary effective model, the temperature-dependent spin-cluster expansion, in order to efficiently sample the spin space. Our method does not require a specific form of the model and is suitable for simulations based on electronic-structure methods. We demonstrate fast warm-up and a reasonably small dynamical critical exponent of our sampler for the classical Heisenberg model. We further present an application of our method to the magnetic phase transition in bcc iron using magnetic bond-order potentials.
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A numerical method, suitable for the simulation of the time evolution of quantum spin models of arbitrary lattice dimension, is presented. The method combines sampling of the Wigner function with evolution equations obtained from the Bogoliubov-Born-Green-Kirkwood-Yvon (BBGKY) hierarchy. Going to higher orders of the BBGKY hierarchy allows for a systematic refinement of the method. Quantum correlations are treated through both, the Wigner function sampling and the BBGKY evolution, bringing about highly accurate estimates of correlation functions. The method is particularly suitable for long-range interacting systems, and we demonstrate its power by comparing with exact results as well as other numerical methods. As an application we compute spin squeezing in a two-dimensional lattice with power-law interactions and a transverse field, which should be accessible in future ion trap experiments.
Spin-dependent partial conductances are evaluated in a tight-binding description of electron transport in the presence of spin-orbit (SO) couplings, using transfer-matrix methods. As the magnitude of SO interactions increases, the separation of spin-switching channels from non-spin-switching ones is gradually erased. Spin-polarised incident beams are produced by including a Zeeman-like term in the Hamiltonian. The exiting polarisation is shown to exhibit a maximum as a function of the intensity of SO couplings. For moderate site disorder, and both weak and strong SO interactions, no evidence is found for a decay of exiting polarisation against increasing system length. With very low site disorder and weak SO couplings a spin-filter effect takes place, as polarisation {em increases} with increasing system length.
The Motzkin and Fredkin quantum spin chains are described by frustration-free Hamiltonians recently introduced and studied because of their anomalous behaviors in the correlation functions and in the entanglement properties. In this paper we analyze their quantum dynamical properties, focusing in particular on the time evolution of the excitations driven by a quantum quench, looking at the correlations functions of spin operators defined along different directions, and discussing the results in relation with the cluster decomposition property.
We address here a few classical lattice--spin models, involving $n-$component unit vectors ($n=2,3$), associated with a $D-$dimensional lattice $mathbb{Z}^D,,D=1,2$, and interacting via a pair potential restricted to nearest neighbours and being isotropic in spin space, i.e. defined by a function of the scalar product between the interacting spins. When the potential involves a continuous function of the scalar product, the Mermin--Wagner theorem and its generalizations exclude orientational order at all finite temperatures in the thermodynamic limit, and exclude phase transitions at finite temperatures when $D=1$; on the other hand, we have considered here some comparatively simple functions of the scalar product which are bounded from below, diverge to $+infty$ for certain mutual orientations, and are continuous almost everywhere with integrable singularities. Exact solutions are presented for $D=1$, showing absence of phase transitions and absence of orientational order at all finite temperatures in the thermodynamic limit; for $D=2$, and in the absence of more stringent mathematical results, extensive simulations carried out on some of them point to the absence of orientational order at all finite temperatures, and suggest the existence of a Berezinskivi-Kosterlitz-Thouless transition.
Ultra-cold alkali atoms trapped in two distinct hyperfine states in an external magnetic field can mimic magnetic systems of spin 1/2 particles. We describe the spin-dependent effective interaction as a spin-spin interaction. As a consequence of the zero-range, the interaction of spin 1/2 bosons can be described as an Ising or, alternatively, as an XY-coupling. We calculated the spin-spin interaction parameters as a function of the external magnetic field in the Degenerate Internal State (DIS) approximation. We illustrate the advantage of the spin-spin interaction form by mapping the system of N spin 1/2 bosons confined by a tight trapping potential on that of N spin 1/2 spins coupled via an infinite range interaction.
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