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September 8, 2023

Monte Carlo studies of noncollinear magnetic phases in multiferroic Cu2OSeO3

Monte Carlo simulations based on a first-principles-derived Hamiltonian are conducted to study the finite-temperature properties of chiral-lattice multiferroic insulator Cu2OSeO3. The use of this numerical technique (i) reveals basic features of the phase diagram as a function of temperature and external magnetic field, including the long-range helical phase at low temperature and zero magnetic field and the skyrmion lattice phase, in which skyrmions are arranged in a two-dimensional hexagonal lattice, and (ii) leads to the discovery of an overlooked vortex lattice phase in a narrow pocket of the phase diagram near the fluctuations’ disordered-helical phase
transition. The scheme also provides strong numerical evidence that the transition to a helical state in Cu2OSeO3 is of first order driven by critical fluctuations.

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