Prediction of intrinsic two-dimensional ferroelectrics in In2Se3 and other III2-VI3 van der Waals materials
By W. Ding, Jianbao Zhu, Zhe Wang, Yanfei Gao, Di Xiao, Yi Gu, Zhenyu Zhang, Wenguang Zhu. Nature Communications, 2017
1,172 citations recorded by the source corpus.
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 In2Se3 and other III2-VI3 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 In2Se3/graphene, exhibiting a tunable Schottky barrier, and In2Se3/WSe2, 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. The development of devices based on 2D materials beyond graphene benefits from identifying compounds with diverse functional properties. Here, the authors predict computationally that 2D In2Se3and related materials are room temperature ferroelectrics with both in- and out-of-plane polarization.
Subfields: Electrical and Electronic Engineering, Materials Chemistry
View Paper: https://www.semanticscholar.org/paper/fb634b1d7fafb6867cc222810e8dc5e950224808
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Citations in the corpus
- Two-dimensional materials with piezoelectric and ferroelectric functionalities (2018, background): “a Three-dimensional crystal structure of the layered α-In2Se3, with the In atoms in blue and Se atoms in red, and a quintuple layer is indicated by the black dashed square (reproduced from ref.(14)).”