中国物理B ›› 2022, Vol. 31 ›› Issue (4): 46104-046104.doi: 10.1088/1674-1056/ac20ca

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Theoretical study on the improvement of the doping efficiency of Al in 4H-SiC by co-doping group-IVB elements

Yuanchao Huang(黄渊超)1,2, Rong Wang(王蓉)2,†, Yixiao Qian(钱怡潇)2, Yiqiang Zhang(张懿强)3, Deren Yang(杨德仁)1,2, and Xiaodong Pi(皮孝东)1,2,‡   

  1. 1 State Key Laboratory of Silicon Materials and School of Materials Science and Engineering, Zhejiang University, Hangzhou 310027, China;
    2 Hangzhou Global Scientific and Technological Innovation Center, Zhejiang University, Hangzhou 311200, China;
    3 School of Materials Science and Engineering&Henan Institute of Advanced Technology, Zhengzhou University, Zhengzhou 450001, China
  • 收稿日期:2021-07-09 修回日期:2021-08-13 接受日期:2021-08-25 出版日期:2022-03-16 发布日期:2022-03-16
  • 通讯作者: Rong Wang, Xiaodong Pi E-mail:rong_wang@zju.edu.cn;xdpi@zju.edu.cn
  • 基金资助:
    Project supported by the National Key Research and Development Program of China (Grant Nos. 2017YFA0205704 and 2018YFB2200101), the National Natural Science Foundation of China (Grant Nos. 91964107 and 61774133), Fundamental Research Funds for the Central Universities, China (Grant No. 2018XZZX003-02), the National Natural Science Foundation of China for Innovative Research Groups (Grant No. 61721005), and Zhejiang University Education Foundation Global Partnership Fund. The National Supercomputer Center in Tianjin is acknowledged for computational support.

Theoretical study on the improvement of the doping efficiency of Al in 4H-SiC by co-doping group-IVB elements

Yuanchao Huang(黄渊超)1,2, Rong Wang(王蓉)2,†, Yixiao Qian(钱怡潇)2, Yiqiang Zhang(张懿强)3, Deren Yang(杨德仁)1,2, and Xiaodong Pi(皮孝东)1,2,‡   

  1. 1 State Key Laboratory of Silicon Materials and School of Materials Science and Engineering, Zhejiang University, Hangzhou 310027, China;
    2 Hangzhou Global Scientific and Technological Innovation Center, Zhejiang University, Hangzhou 311200, China;
    3 School of Materials Science and Engineering&Henan Institute of Advanced Technology, Zhengzhou University, Zhengzhou 450001, China
  • Received:2021-07-09 Revised:2021-08-13 Accepted:2021-08-25 Online:2022-03-16 Published:2022-03-16
  • Contact: Rong Wang, Xiaodong Pi E-mail:rong_wang@zju.edu.cn;xdpi@zju.edu.cn
  • Supported by:
    Project supported by the National Key Research and Development Program of China (Grant Nos. 2017YFA0205704 and 2018YFB2200101), the National Natural Science Foundation of China (Grant Nos. 91964107 and 61774133), Fundamental Research Funds for the Central Universities, China (Grant No. 2018XZZX003-02), the National Natural Science Foundation of China for Innovative Research Groups (Grant No. 61721005), and Zhejiang University Education Foundation Global Partnership Fund. The National Supercomputer Center in Tianjin is acknowledged for computational support.

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摘要： The p-type doping efficiency of 4H silicon carbide (4H-SiC) is rather low due to the large ionization energies of p-type dopants. Such an issue impedes the exploration of the full advantage of 4H-SiC for semiconductor devices. In this study, we show that co-doping group-IVB elements effectively decreases the ionization energy of the most widely used p-type dopant, i.e., aluminum (Al), through the defect-level repulsion between the energy levels of group-IVB elements and that of Al in 4H-SiC. Among group-IVB elements Ti has the most prominent effectiveness. Ti decreases the ionization energy of Al by nearly 50%, leading to a value as low as ~0.13 eV. As a result, the ionization rate of Al with Ti co-doping is up to ~5 times larger than that without co-doping at room temperature when the doping concentration is up to 1018 cm-3. This work may encourage the experimental co-doping of group-IVB elements such as Ti and Al to significantly improve the p-type doping efficiency of 4H-SiC.

关键词: 4H-SiC, p-type, co-doping, ab initio study

Abstract: The p-type doping efficiency of 4H silicon carbide (4H-SiC) is rather low due to the large ionization energies of p-type dopants. Such an issue impedes the exploration of the full advantage of 4H-SiC for semiconductor devices. In this study, we show that co-doping group-IVB elements effectively decreases the ionization energy of the most widely used p-type dopant, i.e., aluminum (Al), through the defect-level repulsion between the energy levels of group-IVB elements and that of Al in 4H-SiC. Among group-IVB elements Ti has the most prominent effectiveness. Ti decreases the ionization energy of Al by nearly 50%, leading to a value as low as ~0.13 eV. As a result, the ionization rate of Al with Ti co-doping is up to ~5 times larger than that without co-doping at room temperature when the doping concentration is up to 1018 cm-3. This work may encourage the experimental co-doping of group-IVB elements such as Ti and Al to significantly improve the p-type doping efficiency of 4H-SiC.

Key words: 4H-SiC, p-type, co-doping, ab initio study

中图分类号:  (Semiconductors)

  • 61.82.Fk
61.72.-y (Defects and impurities in crystals; microstructure) 71.15.Mb (Density functional theory, local density approximation, gradient and other corrections)