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Prediction of intrinsic two-dimensional ferroelectrics in In(2)Se(3) and other
III(2)-VI(3) van der Waals materials
#MMPMID28387225
Ding W
; Zhu J
; Wang Z
; Gao Y
; Xiao D
; Gu Y
; Zhang Z
; Zhu W
Nat Commun
2017[Apr]; 8
(?): 14956
PMID28387225
show ga
Interest in two-dimensional (2D) van der Waals materials has grown rapidly across
multiple scientific and engineering disciplines in recent years. However,
ferroelectricity, the presence of a spontaneous electric polarization, which is
important in many practical applications, has rarely been reported in such
materials so far. Here we employ first-principles calculations to discover a
branch of the 2D materials family, based on In(2)Se(3) and other III(2)-VI(3) van
der Waals materials, that exhibits room-temperature ferroelectricity with
reversible spontaneous electric polarization in both out-of-plane and in-plane
orientations. The device potential of these 2D ferroelectric materials is further
demonstrated using the examples of van der Waals heterostructures of
In(2)Se(3)/graphene, exhibiting a tunable Schottky barrier, and
In(2)Se(3)/WSe(2), showing a significant band gap reduction in the combined
system. These findings promise to substantially broaden the tunability of van der
Waals heterostructures for a wide range of applications.