Structural and electronic properties of hydrogen-terminated diamond field-effect transistors with h-BN gate dielectric featuring native point defects

IF 3.6 2区物理与天体物理 Q2 PHYSICS, APPLIED

Applied Physics Letters Pub Date : 2025-09-26 DOI:10.1063/5.0282593

Qingzhong Gui, Wei Yu, Chunmin Cheng, Taiqiao Liu, Xuhao Wan, Jinhao Su, Guoyou Liu, John Robertson, Sheng Liu, Zhaofu Zhang, Xin Yang, Yuzheng Guo

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引用次数: 0

Abstract

High-mobility normally-off field-effect transistors (FETs) based on hexagonal boron nitride (h-BN)/hydrogen-terminated diamond (H-diamond) heterostructures and two-dimensional hole gas (2DHG) demonstrate tremendous potential. In this letter, we study structural and electronic properties of H-diamond FETs with h-BN gate dielectric featuring native point defects by first-principles calculations. The surface transfer doping model is applied to give theoretical insights into the energy band evolution of 2DHG H-diamond devices. In the case of a high electron affinity (EA) material acting as an electron acceptor on the H-diamond surface, the energy band on the H-diamond surface bends upwards. When a low EA material acts as a surface donor, the energy band on the H-diamond surface bends downward at this point. The local density of states for positive and negative valence defects in h-BN correspond to a downward and upward band bending on the H-diamond side, respectively. This result indicates that positive and negative valence defects in h-BN cause the h-BN/H-diamond heterostructure with different interfacial properties. The findings of this work can provide a rational design for improving the performance of diamond-based devices.

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具有原生点缺陷的h-BN栅极介质端氢金刚石场效应晶体管的结构和电子性能

基于六方氮化硼(h-BN)/端氢金刚石（H-diamond）异质结构和二维空穴气体（2DHG）的高迁移率常关场效应晶体管（fet）显示出巨大的潜力。本文通过第一性原理计算，研究了具有本源点缺陷的h-BN栅极介质的h-金刚石场效应管的结构和电子特性。应用表面转移掺杂模型对2DHG h -金刚石器件的能带演化进行了理论分析。当高电子亲和性（EA）材料作为电子受体作用于h -金刚石表面时，h -金刚石表面的能带向上弯曲。当低EA材料作为表面供体时，h -金刚石表面的能带在此时向下弯曲。h-BN中正价缺陷和负价缺陷的局域态密度分别对应于h-金刚石侧向下和向上的能带弯曲。结果表明，h-BN的正负价缺陷导致了具有不同界面性能的h-BN/ h-金刚石异质结构。研究结果可为提高金刚石基器件的性能提供合理的设计思路。

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.