材料科学
凝聚态物理
铁电性
居里温度
铁磁性
自旋电子学
极化密度
反铁磁性
密度泛函理论
多铁性
相变
磁化
电介质
物理
磁场
光电子学
计算化学
化学
量子力学
作者
Kaijuan Pang,Xiaodong Xu,Ruiqi Ku,Yadong Wei,Tao Ying,Weiqi Li,Jianqun Yang,Xingji Li,Yongyuan Jiang
标识
DOI:10.1021/acsami.2c18812
摘要
The breaking of the out-of-plane symmetry makes a two-dimensional (2D) Janus monolayer a new platform to explore the coupling between ferroelectricity and ferromagnetism. Using density functional theory in combination with Monte Carlo simulations, we report a novel phase-switchable 2D multiferroic material VInSe3 with large intrinsic out-of-plane spontaneous electric polarization and a high Curie temperature (Tc). The structural transition energy barrier between the two phases is determined to be 0.4 eV, indicating the switchability of the electric polarizations and the potential ferroelectricity. Carrier doping can boost the Curie temperature above room temperature, attributing to the enhanced magnetic exchange interaction. A transition from the ferromagnetic (FM) state to the antiferromagnetic (AFM) state can be induced by carrier doping in octahedra-VInSe3, while FM coupling is well-preserved in tetrahedron-VInSe3, which can be regulated to be either an XY or Ising magnet at an appropriate carrier concentration. These findings not only enrich the family of high-Tc low-dimensional monolayers but also offer a new direction for the design and multifunctional application of multiferroic materials.
科研通智能强力驱动
Strongly Powered by AbleSci AI