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Atomic and electronic structures of N-incorporated Si oxides
1Institute of Physics, University of Tsukuba, 1-1-1 Tennodai, Tsukuba 305-8571, Japan.
Physical Review Letters
|May 1, 2001
Summary
Nitrogen and hydrogen co-incorporation in silicon oxides, not nitrogen alone, eliminates charge trap states. This improves electrical reliability in silicon oxynitride films for advanced device technology.
Area of Science:
- Materials Science
- Semiconductor Physics
- Computational Chemistry
Background:
- Silicon dioxide (SiO2) is a standard material in semiconductor device technology.
- Charge trap states in SiO2 cause leakage current, degrading device reliability.
- Nitrogen-incorporated silicon oxides (SiON) are explored as alternatives to SiO2.
Purpose of the Study:
- To investigate the impact of nitrogen incorporation on the electronic structure and energetics of silicon oxides.
- To understand the role of hydrogen in conjunction with nitrogen in SiON films.
- To determine the origin of improved electrical reliability in SiON devices.
Main Methods:
- First-principles total-energy calculations were performed.
- Energetics, charge states, and electronic structures of various N-bonding configurations were analyzed.
- The influence of hydrogen termination on N-incorporated Si oxides was studied.
Main Results:
- Nitrogen incorporation alone does not remove charge trap states from the energy gap.
- Hydrogen termination in N-incorporated structures effectively removes charge trap states.
- The coexistence of nitrogen and hydrogen is crucial for eliminating trap states.
Conclusions:
- The improved electrical reliability of Si oxynitride films stems from the synergistic effect of both nitrogen and hydrogen.
- N-incorporation itself is insufficient; H-termination is key to removing detrimental charge trap states.
- This finding offers insights for designing next-generation dielectric materials for enhanced device performance.