We perform high-throughput first-principles computations to search the high Curie temperature (T_(C)) two-dimensional ferromagnetic (2DFM) materials.We identify 79 2DFM materials and calculate their T_(C),in which Co_...We perform high-throughput first-principles computations to search the high Curie temperature (T_(C)) two-dimensional ferromagnetic (2DFM) materials.We identify 79 2DFM materials and calculate their T_(C),in which Co_(2)F_(2) has the highest T_(C) = 541 K,well above the room temperature.The 79 2DFM materials are classified into different structural prototypes according to their structural similarity.We perform sure independence screening and sparsifying operator (SISSO) analysis to explore the relation between T_(C) and the material structures.The results suggest that the 2DFM materials with shorter distance between the magnetic atoms,larger local magnetic moments and more neighboring magnetic atoms are more likely to have higher T_(C).展开更多
基金This work was funded by the Chinese National Science Foundation Grant Number 12134012.
文摘We perform high-throughput first-principles computations to search the high Curie temperature (T_(C)) two-dimensional ferromagnetic (2DFM) materials.We identify 79 2DFM materials and calculate their T_(C),in which Co_(2)F_(2) has the highest T_(C) = 541 K,well above the room temperature.The 79 2DFM materials are classified into different structural prototypes according to their structural similarity.We perform sure independence screening and sparsifying operator (SISSO) analysis to explore the relation between T_(C) and the material structures.The results suggest that the 2DFM materials with shorter distance between the magnetic atoms,larger local magnetic moments and more neighboring magnetic atoms are more likely to have higher T_(C).
