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Diffusion of the diboron pair in silicon
Gyeong S Hwang1, William A Goddard
1Materials and Process Simulation Center, Beckman Institute (139-74), California Institute of Technology, Pasadena, California 91125, USA.
Physical Review Letters
|July 30, 2002
Summary
We discovered a new boron pair diffusion mechanism in silicon, crucial for creating ultrashallow junctions. This finding impacts semiconductor manufacturing by explaining boron diffusion at high concentrations and temperatures.
Area of Science:
- Materials Science
- Semiconductor Physics
- Computational Materials Science
Background:
- Understanding dopant diffusion in silicon is critical for semiconductor device fabrication.
- Boron diffusion is particularly important for creating ultrashallow junctions.
Purpose of the Study:
- To elucidate the diffusion mechanism of diboron pairs in silicon.
- To determine the activation energy for this diffusion process.
Main Methods:
- First-principles density functional theory calculations.
- Identification of reaction pathways and local minimum energy states.
- Kinetic modeling of diboron diffusion.
Main Results:
- A novel diffusion pathway for diboron pairs in silicon was identified.
- The pathway involves transitions through specific intermediate configurations.
- The activation energy for diboron diffusion was calculated to be 1.81 eV.
Conclusions:
- Diboron diffusion is a significant factor in the diffusion profiles of boron in silicon.
- This mechanism is relevant for ultrashallow junction processing requiring high dopant concentrations and annealing temperatures.