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Issue 24, 2017
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Monolayer AgBiP2Se6: an atomically thin ferroelectric semiconductor with out-plane polarization

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Abstract

Using first-principles calculations, we designed a two-dimensional material, monolayer AgBiP2Se6, with the thickness of only 6 Å, which exhibited out-plane ferroelectricity. The ground state of the monolayer AgBiP2Se6 was not purely ferroelectric since the out-plane ferroelectricity originated from the compensated ferrielectric state: the off-centering antiparallel displacements of Ag+ and Bi3+ ions. The compensated ferrielectric ordering has superiority on reducing the depolarization field to stabilize the ferroelectricity. Furthermore, together with strong visible-light adsorption and suitable band edge alignments, we proposed the monolayer AgBiP2Se6 as a visible-light photocatalyst for water-splitting as the out-plane polarization could enhance the electron–hole separation. Our results offer a new way to overcome the critical thickness limitation of nanoscale ferroelectrics. The out-plane ferroelectricity in monolayer AgBiP2Se6 has great potential for developing various devices with desirable applications.

Graphical abstract: Monolayer AgBiP2Se6: an atomically thin ferroelectric semiconductor with out-plane polarization

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Publication details

The article was received on 07 Apr 2017, accepted on 26 May 2017 and first published on 27 May 2017


Article type: Paper
DOI: 10.1039/C7NR02461D
Citation: Nanoscale, 2017,9, 8427-8434
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    Monolayer AgBiP2Se6: an atomically thin ferroelectric semiconductor with out-plane polarization

    B. Xu, H. Xiang, Y. Xia, K. Jiang, X. Wan, J. He, J. Yin and Z. Liu, Nanoscale, 2017, 9, 8427
    DOI: 10.1039/C7NR02461D

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