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Prediction of intrinsic two-dimensional ferroelectrics in In2Se3 and other III2-VI3 van der Waals materials.


ABSTRACT: 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.

SUBMITTER: Ding W 

PROVIDER: S-EPMC5385629 | biostudies-literature | 2017 Apr

REPOSITORIES: biostudies-literature

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Prediction of intrinsic two-dimensional ferroelectrics in In<sub>2</sub>Se<sub>3</sub> and other III<sub>2</sub>-VI<sub>3</sub> van der Waals materials.

Ding Wenjun W   Zhu Jianbao J   Wang Zhe Z   Gao Yanfei Y   Xiao Di D   Gu Yi Y   Zhang Zhenyu Z   Zhu Wenguang W  

Nature communications 20170407


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<sub>2</sub>Se<sub>3</sub> and other III<sub>2</sub>-VI<sub>3</sub  ...[more]

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