Quantum Mechanical Modeling Techniques for High-Performance Low-k Amorphous Material Engineering: a Showcase for aBN

As technology continues to advance, the semiconductor industry is constantly on the lookout for new materials that are both high-performing and cost-effective. One promising avenue for achieving further gains is through the use of amorphous materials with desirable properties that can be incorporated in semiconductor processing steps. To optimize these materials, advanced and efficient material simulation techniques are needed to address the complex nature of bonding and structural effects, predict, and analyze their properties, and provide suitable engineering solutions. This paper highlights a novel approach for studying the behavior of low-k amorphous materials under repetitive structural pulses that can be applied in any future amorphous material study. By efficiently capturing important experimental data, such as atomic density ranges, compositions, porosities, and dielectric constants, the method provides valuable insights that cannot be obtained through experimentation alone. Additionally, the paper includes a discussion on segregation trends and addresses effects of impurities as possible knobs for further optimization and material engineering.