First-Principles Prediction of High and Low Resistance States in Ta/h-BN/Ta Atomristor
Two-dimensional (2D) materials have received significant attention for their potential use in next-generation electronics, particularly in nonvolatile memory and neuromorphic computing. This is due to their simple metal–insulator–metal (MIM) sandwiched structure, excellent switching performance, hig...
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MDPI AG
2024-03-01
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| Series: | Nanomaterials |
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| Online Access: | https://www.mdpi.com/2079-4991/14/7/612 |
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| author | Lan He Shuai Lang Wei Zhang Shun Song Juan Lyu Jian Gong |
| author_facet | Lan He Shuai Lang Wei Zhang Shun Song Juan Lyu Jian Gong |
| author_sort | Lan He |
| collection | DOAJ |
| description | Two-dimensional (2D) materials have received significant attention for their potential use in next-generation electronics, particularly in nonvolatile memory and neuromorphic computing. This is due to their simple metal–insulator–metal (MIM) sandwiched structure, excellent switching performance, high-density capability, and low power consumption. In this work, using comprehensive material simulations and device modeling, the thinnest monolayer hexagonal boron nitride (h-BN) atomristor is studied by using a MIM configuration with Ta electrodes. Our first-principles calculations predicted both a high resistance state (HRS) and a low resistance state (LRS) in this device. We observed that the presence of van der Waals (vdW) gaps between the Ta electrodes and monolayer h-BN with a boron vacancy (V<sub>B</sub>) contributes to the HRS. The combination of metal electrode contact and the adsorption of Ta atoms onto a single V<sub>B</sub> defect (Ta<sub>B</sub>) can alter the interface barrier between the electrode and dielectric layer, as well as create band gap states within the band gap of monolayer h-BN. These band gap states can shorten the effective tunneling path for electron transport from the left electrode to the right electrode, resulting in an increase in the current transmission coefficient of the LRS. This resistive switching mechanism in monolayer h-BN atomristors can serve as a theoretical reference for device design and optimization, making them promising for the development of atomristor technology with ultra-high integration density and ultra-low power consumption. |
| first_indexed | 2024-04-24T10:37:37Z |
| format | Article |
| id | doaj.art-1a91569ee94147cc8704a339f3212cef |
| institution | Directory Open Access Journal |
| issn | 2079-4991 |
| language | English |
| last_indexed | 2024-04-24T10:37:37Z |
| publishDate | 2024-03-01 |
| publisher | MDPI AG |
| record_format | Article |
| series | Nanomaterials |
| spelling | doaj.art-1a91569ee94147cc8704a339f3212cef2024-04-12T13:23:57ZengMDPI AGNanomaterials2079-49912024-03-0114761210.3390/nano14070612First-Principles Prediction of High and Low Resistance States in Ta/h-BN/Ta AtomristorLan He0Shuai Lang1Wei Zhang2Shun Song3Juan Lyu4Jian Gong5School of Physical Science and Technology, Inner Mongolia University, Hohhot 010021, ChinaSchool of Physical Science and Technology, Inner Mongolia University, Hohhot 010021, ChinaSchool of Physical Science and Technology, Inner Mongolia University, Hohhot 010021, ChinaState Key Laboratory of Superlattices and Microstructures, Institute of Semiconductors, Chinese Academy of Sciences, Beijing 100083, ChinaSchool of Physical Science and Technology, Inner Mongolia University, Hohhot 010021, ChinaSchool of Physical Science and Technology, Inner Mongolia University, Hohhot 010021, ChinaTwo-dimensional (2D) materials have received significant attention for their potential use in next-generation electronics, particularly in nonvolatile memory and neuromorphic computing. This is due to their simple metal–insulator–metal (MIM) sandwiched structure, excellent switching performance, high-density capability, and low power consumption. In this work, using comprehensive material simulations and device modeling, the thinnest monolayer hexagonal boron nitride (h-BN) atomristor is studied by using a MIM configuration with Ta electrodes. Our first-principles calculations predicted both a high resistance state (HRS) and a low resistance state (LRS) in this device. We observed that the presence of van der Waals (vdW) gaps between the Ta electrodes and monolayer h-BN with a boron vacancy (V<sub>B</sub>) contributes to the HRS. The combination of metal electrode contact and the adsorption of Ta atoms onto a single V<sub>B</sub> defect (Ta<sub>B</sub>) can alter the interface barrier between the electrode and dielectric layer, as well as create band gap states within the band gap of monolayer h-BN. These band gap states can shorten the effective tunneling path for electron transport from the left electrode to the right electrode, resulting in an increase in the current transmission coefficient of the LRS. This resistive switching mechanism in monolayer h-BN atomristors can serve as a theoretical reference for device design and optimization, making them promising for the development of atomristor technology with ultra-high integration density and ultra-low power consumption.https://www.mdpi.com/2079-4991/14/7/612interface barrierband gap statesatomristors |
| spellingShingle | Lan He Shuai Lang Wei Zhang Shun Song Juan Lyu Jian Gong First-Principles Prediction of High and Low Resistance States in Ta/h-BN/Ta Atomristor Nanomaterials interface barrier band gap states atomristors |
| title | First-Principles Prediction of High and Low Resistance States in Ta/h-BN/Ta Atomristor |
| title_full | First-Principles Prediction of High and Low Resistance States in Ta/h-BN/Ta Atomristor |
| title_fullStr | First-Principles Prediction of High and Low Resistance States in Ta/h-BN/Ta Atomristor |
| title_full_unstemmed | First-Principles Prediction of High and Low Resistance States in Ta/h-BN/Ta Atomristor |
| title_short | First-Principles Prediction of High and Low Resistance States in Ta/h-BN/Ta Atomristor |
| title_sort | first principles prediction of high and low resistance states in ta h bn ta atomristor |
| topic | interface barrier band gap states atomristors |
| url | https://www.mdpi.com/2079-4991/14/7/612 |
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