MXenes公司
铁电性
图层(电子)
材料科学
纳米技术
光电子学
电介质
作者
Yu-Jie Zeng,Jinzhu Zhao
标识
DOI:10.1088/1361-6463/ad449e
摘要
Abstract In this work, the ferroelectricity of a group of quin-layer M2CT2 monolayer MXenes compounds is investigated from first principles. The polar H phase of Sc2CS2, Sc2CSe2, Y2CS , and Y2 2CSe2 are predicted by our results which show the co-existenceof out-of-plane and in-plane electric polarizations. We clarified that the spontaneous out-of-plane polarization in the H phase originated from the high-order coupling with in-plane polarization. The competition between the FE and AFE state of studied H phase monolayer M2CT2 MXenes is investigated as well. Compared with previously reported Mixed-phase for M2CT2 MXenes, the H phase presents strong coupling between out-of-plane polarizations and external electric field making them more feasible for manipulating in practical applications.
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