4.7 Article

Atomic and electronic properties of different types of SiC/SiO2 interfaces: First-principles calculations

期刊

SURFACES AND INTERFACES
卷 33, 期 -, 页码 -

出版社

ELSEVIER
DOI: 10.1016/j.surfin.2022.102273

关键词

SiC; SiO 2 interface; Band alignment; Charge transfer; First -principles

资金

  1. National Key Research and Development Program of China [2021YFA0718801]
  2. Open-Foundation of Key Laboratory of Laser Device Technology, China North Industries Group Corporation Limited [KLLDT202103]
  3. Open Project Program of Shandong Semiconductor Materials and Optoelectronic In- formation Technology Innovation Center, Ludong University

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The atomic and electronic properties of different SiC/SiO2 interfaces were investigated using the first principles method. The terminal types on the SiO2 side and crystal faces of 4H-SiC influenced the interface structures and band alignment. The O-terminated interface structures showed higher conduction band offsets and interface separation work, making them more favorable for SiC-based devices.
The atomic and electronic properties of different types of SiC/SiO2 interfaces were investigated by using the firstprinciples method. Considering the four different terminal types on the SiO2 side and the two different crystal faces of 4H-SiC, we constructed eight different SiC/SiO2 interface models. Among the four different SiC/SiO2 interface structures with dangling bonds, the interface structures with Si dangling bonds will generate defect states at the center of the band gap and the conduction band edges, while the interface structures with C dangling bonds will create defect states at the valence band edges. The band alignment of four different SiC/SiO2 interface structures without dangling bonds indicates that the O-terminated interface structures have higher conduction band offsets than the Si-terminated interface structures. Besides, the O-terminated interface structures without dangling bonds have significantly higher interface separation work and are more favorable than the other interface structures, which can better resist leakage current and have the higher quality in SiC-based MOSFET applications.

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