Strong Coupled Magnetic and Electric Ordering in Monolayer of Metal Thio(seleno) phosphates

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The coupling between electric ordering and magnetic ordering in two-dimensional (2D) materials is important for both fundamental research of 2D multiferroics and future development of magnetism-based information storage and operation.Here,we introduce a scheme for realizing a magnetic phase transition through the transition of electric ordering.We take CuMoP2S6 monolayer as an example,which is a member of the large 2D transition-metal chalcogen-phosphates family.Based on first-principles calculations,we find that it is a multiferroic with unprecedented characters,namely,it exhibits two different phases:an antiferroelectric-antiferromagnetic phase and a ferroelectric-ferromagnetic phase,in which the electric and magnetic orderings are strongly coupled.Im-portantly,the electric polarization is out-of-plane,so the magnetism can be readily switched by using the gate electric field.Our finding reveals a series of 2D multiferroics with special magnetoelectric coupling,which hold great promise for experimental realization and practical applications.
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