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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.
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-
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-
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
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 isot
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