Polarization-enhanced ultrafast carrier transfer dynamics in Ga2O3/WS2 heterojunctions

IF 3.8 2区物理与天体物理 Q2 PHYSICS, APPLIED

Applied Physics Letters Pub Date : 2026-10-05 DOI:10.1063/5.0341727

Yuting Jiang,Yonghui Liu,Huaiqiang Zhang,John Robertson,Sheng Liu,Yuzheng Guo

引用次数: 0

Abstract

Polarization engineering offers a promising strategy to enhance photogenerated carrier separation in van der Waals heterojunctions. Herein, the mechanisms governing polarization-enhanced carrier separation in Ga2O3/WS2 are investigated using nonadiabatic molecular dynamics. The results indicate that nearly 46% of the electrons transfer from WS2 to Ga2O3 within 321 fs in Ga2O3↓/WS2, whereas approximately 15% of the holes transfer in the opposite direction within 50 fs. The asymmetric carrier dynamics suggest transient redistribution of photoexcited carriers between the two layers. These transfer dynamics are associated with several phonon features in the Fourier transform spectra. In comparison, photoexcited charge transfer in Ga2O3↑/WS2 occurs on a timescale of 82 fs, owing to the type-III band alignment with a narrow gap of 0.12 eV. These findings indicate that the introduction of intrinsic polarization modulates the electronic properties and enhances photoexcited carrier separation of Ga2O3/WS2.

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Ga2O3/WS2异质结中极化增强的超快载流子转移动力学

偏振工程为增强范德华异质结中光生载流子分离提供了一种很有前途的策略。本文采用非绝热分子动力学方法研究了Ga2O3/WS2中极化增强载流子分离的机理。结果表明，在Ga2O3↓/WS2中，近46%的电子在321 fs内从WS2转移到Ga2O3，而约15%的空穴在50 fs内从相反方向转移。不对称载流子动力学表明两层之间光激发载流子的瞬态再分布。这些传递动力学与傅里叶变换谱中的几个声子特征有关。相比之下，Ga2O3↑/WS2中的光激发电荷转移发生在82 fs的时间尺度上，这是由于iii型带对准的窄间隙为0.12 eV。这些发现表明，本征极化的引入调节了Ga2O3/WS2的电子性质，增强了光激发载流子分离。

本文章由计算机程序翻译，如有差异，请以英文原文为准。

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来源期刊

Applied Physics Letters 物理-物理：应用

CiteScore

6.40

自引率

10.00%

发文量

1821

审稿时长

1.6 months

期刊介绍： Applied Physics Letters (APL) features concise, up-to-date reports on significant new findings in applied physics. Emphasizing rapid dissemination of key data and new physical insights, APL offers prompt publication of new experimental and theoretical papers reporting applications of physics phenomena to all branches of science, engineering, and modern technology. In addition to regular articles, the journal also publishes invited Fast Track, Perspectives, and in-depth Editorials which report on cutting-edge areas in applied physics. APL Perspectives are forward-looking invited letters which highlight recent developments or discoveries. Emphasis is placed on very recent developments, potentially disruptive technologies, open questions and possible solutions. They also include a mini-roadmap detailing where the community should direct efforts in order for the phenomena to be viable for application and the challenges associated with meeting that performance threshold. Perspectives are characterized by personal viewpoints and opinions of recognized experts in the field. Fast Track articles are invited original research articles that report results that are particularly novel and important or provide a significant advancement in an emerging field. Because of the urgency and scientific importance of the work, the peer review process is accelerated. If, during the review process, it becomes apparent that the paper does not meet the Fast Track criterion, it is returned to a normal track.