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通过插入化单层来研究Ga₂O₃/金属接口的第一原则

Ran Xu^1,2,3, Long Cheng³, Xiaolei Ma¹

¹State Key Laboratory of Semiconductor Physics and Chip Technologies, Institute of Semiconductors, Chinese Academy of Sciences, 100083 Beijing, P. R. China.

|March 17, 2025

概括

将六边形化 (h-BN) 层插入氧化 (Ga2O3) 金属接触物中,可显著增加低工作功能的金属的Schottky屏障高度. 这提高了宽带间隙半导体设备的性能.

科学领域:

材料科学材料科学材料科学
凝聚物质物理学凝聚物质物理学
半导体设备物理半导体设备物理

背景情况:

氧化 (Ga2O3) 是一种宽带间隙半导体,对于高性能电子设备至关重要.
在Ga2O3/金属接触器中控制Schottky屏障高度 (SBH) 对于设备的功能至关重要.
接口工程是调整电子属性的关键策略.

研究的目的:

为了研究在Ga2O3/金属接口的SBH上插入六角化 (h-BN) 介电层的影响.
了解由h-BN介层调节SBH的原子层机制.
分析h-BN对Ga2O3基设备中道道壁垒的影响.

主要方法:

使用第一原理计算来模拟Ga2O3/金属和Ga2O3/h-BN/金属接口.
接口模型包括Ga2O3/Au,Ga2O3/BN/Au,Ga2O3/Mg和Ga2O3/BN/Mg的配置.
进行电子结构计算以阐明观察到的现象.

主要成果:

插入h-BN并没有显著改变SBH对于高工作功能的金属,如Au.
对于像Mg这样的低工作功能的金属,在h-BN插入时观察到SBH的显著增加.
h-BN 作为一个过渡层,有效地选接口状态并削弱接口交互.

结论:

二维h-BN介层为调SBH在Ga2O3/金属接触中提供了一种可行的方法,特别适用于低工作功能的金属.
h-BN 的选效果对于修改接口属性和提高设备性能至关重要.
这项研究为设计宽带差距半导体设备的先进间接结构提供了洞察力.

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