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Defect-Mediated Atomic Layer Etching Processes on Cl-Si(100): An Atomistic Insight.

Peizhi Wang¹, Fengzhou Fang^1,2

¹Centre of Micro/Nano Manufacturing Technology (MNMT-Dublin), University College Dublin, Dublin D4, Ireland.

The Journal of Physical Chemistry. C, Nanomaterials and Interfaces

|November 8, 2023

Summary

This summary is machine-generated.

Point defects significantly enhance laser-induced atomic layer etching (ALE) by lowering desorption energy and laser thresholds. This defect-mediated mechanism enables highly efficient, damage-free layer-by-layer etching of Cl-Si(100).

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Area of Science:

Materials Science
Surface Science
Computational Chemistry

Background:

Atomic layer etching (ALE) is crucial for semiconductor fabrication.
Understanding defect roles in laser-induced ALE at the atomic level is limited.

Purpose of the Study:

Investigate the influence of point defects on laser-induced ALE of Cl-Si(100).
Elucidate the atomistic mechanisms governing defect-mediated etching.

Main Methods:

Density Functional Theory (DFT) calculations.
Real-time time-dependent DFT simulations.
Comparative analysis of pristine and defective Si(100) surfaces.

Main Results:

Point defects enhance SiCl molecule desorption under laser irradiation.
Defects reduce the desorption energy barrier and laser intensity threshold.
Defective levels within the band gap were observed via density-of-state diagrams.

Conclusions:

A defect-mediated etching regime explains layer-by-layer ALE.
Point defects improve etching selectivity and enable damage-free processing.
Atomistic insights into defect roles in laser-induced ALE are provided.