Theoretical study of metal contacts to the monolayer ferroelectric material CuInP2S6 and its device applications

Two-dimensional (2D) ferroelectric materials exhibit significant potential for applications in nonvolatile memory and device miniaturization. In the device design stage, it is essential to consider the compatibility between 2D ferroelectric materials and three-dimensional (3D) metal. However, the in...

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Veröffentlicht in:Applied physics letters 2024-07, Vol.125 (4)
Hauptverfasser: Qi, Jialong, Han, Huizhen, Yang, Shuli, Kang, Lili, Yin, Huabing, Zhao, Gaofeng
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container_issue 4
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container_title Applied physics letters
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creator Qi, Jialong
Han, Huizhen
Yang, Shuli
Kang, Lili
Yin, Huabing
Zhao, Gaofeng
description Two-dimensional (2D) ferroelectric materials exhibit significant potential for applications in nonvolatile memory and device miniaturization. In the device design stage, it is essential to consider the compatibility between 2D ferroelectric materials and three-dimensional (3D) metal. However, the interface between them introduces complex interactions that could impact the device's performance. In this work, based on the first-principles method, we simulate several 3D metal–2D ferroelectric material contact systems by utilizing different 3D metals in contact with the 2D ferroelectric monolayer CuInP2S6 (CIPS). By calculating the electronic structures of the systems, we find that the Cd(001)–CIPS configuration is the most stable structure, followed by the Ag(111)–CIPS and Au(111)–CIPS systems. Both the Cd(001)–CIPS and Ag(111)–CIPS systems undergo a transition from Schottky to Ohmic contact. Finally, we theoretically design a ferroelectric tunnel junction (FTJ) based on the Cd(001)–CIPS contact system, achieving a tunneling electroresistance ratio of 2.394×105% and a remarkably low resistance–area product of 0.78  Ω·μm2, which makes the proposed FTJ superior to the conventional 3D FTJ. This work provides some insights for the design of nonvolatile storage devices.
doi_str_mv 10.1063/5.0219253
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subjects Contact resistance
Ferroelectric materials
Ferroelectricity
First principles
Gold
Low resistance
Monolayers
Silver
Tunnel junctions
title Theoretical study of metal contacts to the monolayer ferroelectric material CuInP2S6 and its device applications
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