Direct Determination of Band Gap of Defects in a Wide Band Gap Semiconductor,ACS Applied Materials & Interfaces

当前位置： X-MOL 学术 › ACS Appl. Mater. Interfaces › 论文详情

Our official English website, www.x-mol.net, welcomes your feedback! (Note: you will need to create a separate account there.)

Direct Determination of Band Gap of Defects in a Wide Band Gap Semiconductor
ACS Applied Materials & Interfaces ( IF 8.3 ) Pub Date : 2022-08-04 , DOI: 10.1021/acsami.2c10143
Xuexi Yan _{1,

2} , Qianqian Jin ₃ , Yixiao Jiang _{1,

2} , Tingting Yao _{1,

2} , Xiang Li _{1,

2} , Ang Tao _{1,

2} , Chunyang Gao _{1,

2} , Chunlin Chen _{1,

2} , Xiuliang Ma _{1,

4} , Hengqiang Ye ₂

Affiliation

Crystal defects play an important role in the degradation and failure of semiconductor materials and devices. Direct determination of band gap of defects is a critical step for clarifying how the defects affect the physical properties of semiconductors. Here, high-quality aluminum nitride (AlN) thin films were grown epitaxially on single-crystal Al₂O₃ substrates via pulsed laser deposition. The atomic structure and band gap of three types of inversion domain boundaries (IDBs) in AlN were determined using aberration-corrected transmission electron microscopy and atomic-resolution valence electron energy-loss spectroscopy. It was found that the band gap of all of the IDBs reduces evidently compared to that of the bulk AlN. The maximum band gap reduction of the IDBs is 1.0 eV. First-principles calculations revealed that the band gap reduction of the IDBs is mainly due to the rise of p_z orbital at the valence band maximum, which originates from the elongated Al–N bonds along the [0001] direction at the IDBs. The successful band gap determination of defects paves an avenue for quantitatively evaluating the effect of defects on the performance of semiconductor materials and devices.

中文翻译：

宽带隙半导体缺陷带隙的直接测定

晶体缺陷在半导体材料和器件的退化和失效中起着重要作用。直接确定缺陷的带隙是阐明缺陷如何影响半导体物理性质的关键步骤。在这里，高质量的氮化铝 (AlN) 薄膜在单晶 Al ₂ O _{3上外延生长。}基板通过脉冲激光沉积。使用像差校正透射电子显微镜和原子分辨率价电子能量损失光谱法确定了 AlN 中三种反型域边界 (IDB) 的原子结构和带隙。发现与块状AlN相比，所有IDB的带隙都明显减小。IDB 的最大带隙减少为 1.0 eV。第一性原理计算表明，IDBs 的带隙减小主要是由于 p _z价带最大值处的轨道，这源于IDB处沿[0001]方向的细长Al-N键。缺陷的成功确定带隙为定量评估缺陷对半导体材料和器件性能的影响铺平了道路。

更新日期：2022-08-04

点击分享查看原文

点击收藏

阅读更多本刊新发论文本刊介绍/投稿指南