Doping Elemental 2D Semiconductor Te through Surface Se Substitutions

Area of Science:

• Materials Science
• Condensed Matter Physics
• Nanotechnology

Background:

• Two-dimensional (2D) semiconductor development is hindered by a lack of effective doping strategies.
• Controlling the electronic properties of 2D materials is crucial for advanced electronic devices.

Purpose of the Study:

• To introduce and investigate surface isovalent substitution as a novel doping mechanism for 2D semiconductors.
• To elucidate the structural and electronic property changes in 2D Se/Te systems upon isovalent substitution.

Main Methods:

• Computational modeling and simulation of 2D Se/Te structures.
• Analysis of electronic band structure and work function modifications.
• Investigation of charge redistribution due to electronegativity differences.

Main Results:

• Se substitution for Te introduces electric dipoles, leading to charge redistribution and work function reduction.
• Surface isovalent substitution successfully tunes Te films from p-type to n-type semiconductor behavior.
• This method minimizes lattice structure and surface roughness changes, beneficial for heterostructure fabrication.

Conclusions:

• Surface isovalent substitution is a viable and efficient doping method for 2D semiconductors.
• The controlled introduction of Se into Te lattices offers a pathway to n-type 2D semiconductors.
• This approach preserves structural integrity, facilitating integration into complex device architectures.