Xu Jinrong, Liu Wenjing, Jiang Xiucai, Huang Kai, Li Ping, Yu Jiangying, You Yuwei, Wang Ying, Zhang Yuzhong
Key Laboratory of Advanced Electronic Materials and Devices, School of Physics and Mathematics, Anhui Jianzhu University, Hefei 230601, People's Republic of China.
Shanghai Key Laboratory of Special Artificial Microstructure Materials and Technology, School of Physics Science and Engineering, Tongji University, Shanghai 200092, People's Republic of China.
J Phys Condens Matter. 2024 May 7;36(31). doi: 10.1088/1361-648X/ad42f1.
Impurity doping is a necessary technology for the application of semiconductor materials in microelectronic devices. The quantification of doping effects is crucial for controlling the transport properties of semiconductors. Here, taking two-dimensional (2D) hexagonal boron phosphide semiconductor as an example, we employ coherent potential approximation method to investigate the electronic properties of 2D semiconductor materials at low doping concentrations, which cannot be exploited with conventional density function theory. The results demonstrate that the positive or negative impurity potential in 2D semiconductors determines whether it is p-type or n-type doping, while the impurity potential strength decides whether it is shallow-level or deep-level doping. Impurity concentration has important impacts on not only the intensity but also the broadening of impurity peak in band gap. Importantly, we provide the operating temperature range of hexagonal boron phosphide as a semiconductor device under different impurity concentrations and impurity potentials. The methodology of this study can be applied to other 2D semiconductors, which is of great significance for quantitative research on the application of 2D semiconductors for electronic devices.
杂质掺杂是半导体材料应用于微电子器件的一项必要技术。掺杂效应的量化对于控制半导体的输运特性至关重要。在此,以二维(2D)六方硼磷半导体为例,我们采用相干势近似方法来研究低掺杂浓度下二维半导体材料的电子特性,而传统密度泛函理论无法对其进行研究。结果表明,二维半导体中的正杂质势或负杂质势决定了它是p型掺杂还是n型掺杂,而杂质势强度则决定了它是浅能级掺杂还是深能级掺杂。杂质浓度不仅对带隙中杂质峰的强度有重要影响,而且对其展宽也有重要影响。重要的是,我们给出了六方硼磷作为半导体器件在不同杂质浓度和杂质势下的工作温度范围。本研究方法可应用于其他二维半导体,这对于二维半导体在电子器件应用方面的定量研究具有重要意义。