摘要
The exploration of magnetism in two-dimensional layered materials has attracted extensive research interest.For the monoclinic phase Crl_(3) with interlayer antiferromagnetism,finding a static and robust way of realizing the intrinsic interlayer ferromagnetic coupling is desirable.In this work,we study the electronic structure and magnetic properties of the nonmag-netic element(e.g.,O,S,Se,N,P,As,and C)doped bi-and triple-layer Crl_(3) systems via first-principles calculations.Our results demonstrate that O,P,S,As,and Se doped Crls bilayer can realize interlayer ferromagnetism.Further analysis shows that the interlayer ferromagnetic coupling in the doped few-layer Crls is closely related to the formation of localized spin-polarized state around the doped elements.Further study presents that,for As-doped tri-layer Crl_(3),it can realize interlayer ferromagnetic coupling.This work proves that nonmagnetic element doping can realize the interlayer ferromagnetically-coupled few-layer Crl_(3) while maintaining its semiconducting characteristics without introducing additional carriers.
基金
supported by the National Natural Science Foundation of China(Nos.11974098 and 11974327)
the Natural Science Foundation of Hebei Province(No.A2023205017)
the Science Foundation of Hebei Normal University(No.2019B16)
the Fundamental Research Funds for the Central Universities(Nos.WK2030020032 and WK2340000082)
Anhui Initiative in Quantum Information Technologies.
