Electronic characteristics of the two-dimensional van der Waals ferroelectric α-In2Se3/Cs3Bi2I9 heterostructures

Two-dimensional (2D) van der Waals (vdWs) ferroelectric heterostructures provide a platform to design multifunctional electronic devices. In this Letter, the 2D vdWs ferroelectric α-In2Se3/Cs3Bi2I9 heterostructures were constructed to investigate the appropriate band alignment, effective masses, cha...

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Veröffentlicht in:Applied physics letters 2024-01, Vol.124 (5)
Hauptverfasser: Lang, Yu-Fei, Zou, Daifeng, Xu, Ying, Jiang, Shaolong, Zhao, Yu-Qing, Ang, Yee-Sin
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container_issue 5
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container_title Applied physics letters
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creator Lang, Yu-Fei
Zou, Daifeng
Xu, Ying
Jiang, Shaolong
Zhao, Yu-Qing
Ang, Yee-Sin
description Two-dimensional (2D) van der Waals (vdWs) ferroelectric heterostructures provide a platform to design multifunctional electronic devices. In this Letter, the 2D vdWs ferroelectric α-In2Se3/Cs3Bi2I9 heterostructures were constructed to investigate the appropriate band alignment, effective masses, charge transfer, and polarization switching barriers by employing first-principle calculation. The results show that the polarization reversal of α-In2Se3 engineers band alignment transition from type-II (α-In2Se3-P↑/Cs3Bi2I9) to type-I (α-In2Se3-P↓/Cs3Bi2I9), resulting in an indirect bandgap changing from 0.09 to 0.75 eV. Calculated electron effective masses are isotropic, which is smaller than those of anisotropic hole effective masses. Interfacial charges transfer from Cs3Bi2I9 to α-In2Se3, which can be ascribed to work function difference. By combining non-equilibrium Green's functions, the current–voltage characteristics of α-In2Se3/Cs3Bi2I9 based ferroelectric tunnel junction were investigated, and the current on/off ratio of 103 is resulted by spatial charge carrier separation and recombination. The proposed electron–hole separation transport design strategy provides a comprehensive theoretical support for the development of microelectronic storage devices.
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In this Letter, the 2D vdWs ferroelectric α-In2Se3/Cs3Bi2I9 heterostructures were constructed to investigate the appropriate band alignment, effective masses, charge transfer, and polarization switching barriers by employing first-principle calculation. The results show that the polarization reversal of α-In2Se3 engineers band alignment transition from type-II (α-In2Se3-P↑/Cs3Bi2I9) to type-I (α-In2Se3-P↓/Cs3Bi2I9), resulting in an indirect bandgap changing from 0.09 to 0.75 eV. Calculated electron effective masses are isotropic, which is smaller than those of anisotropic hole effective masses. Interfacial charges transfer from Cs3Bi2I9 to α-In2Se3, which can be ascribed to work function difference. By combining non-equilibrium Green's functions, the current–voltage characteristics of α-In2Se3/Cs3Bi2I9 based ferroelectric tunnel junction were investigated, and the current on/off ratio of 103 is resulted by spatial charge carrier separation and recombination. 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subjects Alignment
Carrier recombination
Charge transfer
Current carriers
Current voltage characteristics
Ferroelectric materials
Ferroelectricity
First principles
Green's functions
Heterostructures
Mathematical analysis
Polarization
Separation
Tunnel junctions
Work functions
title Electronic characteristics of the two-dimensional van der Waals ferroelectric α-In2Se3/Cs3Bi2I9 heterostructures
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