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Anomalous phase separation in a correlated electron system: Machine-learning–enabled large-scale kinetic Monte Carlo simulations

Sheng Zhang, Puhan Zhang, Gia-Wei Chern

2022Proceedings of the National Academy of Sciences16 citationsDOIOpen Access PDF

Abstract

Significance Phase separation is crucial to the functionalities of many correlated electron materials with notable examples including colossal magnetoresistance in manganites and high- T c superconductivity in cuprates. However, the nonequilibrium phase-separation dynamics in such systems are poorly understood theoretically, partly because the required multiscale modeling is computationally very demanding. With the aid of machine-learning methods, we have achieved large-scale dynamical simulations in a representative correlated electron system. We observe an unusual relaxation process that is beyond the framework of classical phase-ordering theories. We also uncover a correlation-induced freezing behavior, which could be a generic feature of phase separation in correlated electron systems.

Topics & Concepts

Statistical physicsMonte Carlo methodKinetic Monte CarloRelaxation (psychology)ElectronPhase (matter)PhysicsColossal magnetoresistanceNon-equilibrium thermodynamicsCuprateStrongly correlated materialScale (ratio)Hubbard modelSuperconductivityCondensed matter physicsChemical physicsMagnetoresistanceThermodynamicsQuantum mechanicsMathematicsStatisticsMagnetic fieldSocial psychologyPsychologyPhysics of Superconductivity and MagnetismMagnetic and transport properties of perovskites and related materialsMachine Learning in Materials Science
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