A first-principles study on the multiferroicity of semi-modified X₂M (X = C, Si; M = F, Cl) monolayers

Shijun Zhang, Chien H. Wu,Chenduo Geng,Tianyi Wang,Peng Zhou,Hongli Chen,Zhengchao Dong,Chonggui Zhong

Physical Chemistry Chemical Physics（2023）

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摘要

Top and side views of the Si 2 F(Cl) monolayer at 35% strain. When F(Cl) atoms are located above the Si plane, a downward FE polarization is obtained, and vice versa. In the process of polarization reversal, the magnetoelectric coupling is weak.

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multiferroicity,first-principles,semi-modified

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A first-principles study on the multiferroicity of semi-modified X2M (X = C, Si; M = F, Cl) monolayers

A first-principles study on the multiferroicity of semi-modified X₂M (X = C, Si; M = F, Cl) monolayers