Coherent potential approximation study of impurity effect on monolayer hexagonal boron phosphide.

Area of Science:

• Materials Science
• Condensed Matter Physics
• Solid-State Chemistry

Background:

• Impurity doping is essential for semiconductor microelectronic devices.
• Quantifying doping effects is critical for controlling semiconductor transport properties.
• Conventional density functional theory struggles with low doping concentrations in 2D materials.

Purpose of the Study:

• To investigate the electronic properties of 2D hexagonal boron phosphide at low doping concentrations.
• To establish a quantitative understanding of impurity doping effects in 2D semiconductors.
• To determine the operating temperature range for hexagonal boron phosphide devices under varying doping conditions.

Main Methods:

• Coherent Potential Approximation (CPA) method.
• Theoretical investigation of electronic properties.
• Analysis of impurity potential and concentration effects.

Main Results:

• Impurity potential sign determines n-type or p-type doping; strength determines shallow-level or deep-level doping.
• Impurity concentration impacts the intensity and broadening of impurity peaks within the band gap.
• Operating temperature ranges for hexagonal boron phosphide devices were determined based on doping parameters.

Conclusions:

• The CPA method provides a viable approach for studying low doping concentrations in 2D semiconductors.
• Understanding impurity doping is crucial for tailoring semiconductor properties for electronic devices.
• This methodology can be extended to other 2D semiconductor materials for device applications.