[16p-K202-1~12] Atomic Layer Process (ALP) analysis and application technologies

2:45 PM - 3:00 PM JST(5:45 AM - 6:00 AM UTC)

[16p-K202-4] The effect of H₂ purge during TiN film formation analyzed using universal machine learning potential

〇Taichi Monden¹, Miyu Yoshida³, Toi Murakami³, Yoshitada Morikawa³, HU LI² (1.TEL, 2.TEA, 3.Osaka Univ)

Keywords:

titanium nitride,Atomic layer deposition process,universal machine learning potential

Titanium nitride (TiN) is widely used in various processes as a semiconductor electrode and wiring material due to its excellent electrical conductivity, mechanical strength, and thermal stability. One effective method for reducing the resistance of TiN is to introduce hydrogen (H₂) purging during the sequence of titanium tetrachloride (TiCl₄) flow and ammonia (NH₃) flow cycles. In this study, we investigated the mechanism of H₂ purging using molecular dynamics (MD) simulations with a universal machine learning potential (PFP) and evaluated the activation energy using the NEB method.