[17a-S4_203-1~11] 13.1 Fundamental properties, surface and interface, and simulations of Si related materials

9:15 AM - 9:30 AM JST(12:15 AM - 12:30 AM UTC)Presentation by Applicant for JSAP Young Scientists Presentation Award

[17a-S4_203-2] Analysis of the initial oxidation process on TiN surface by first-principles calculations
-Termination structure on surface and influence of N vacancy-

〇Yo Matsunaga¹, Kenta Arima¹, Kouji Inagaki¹ (1.U Osaka)

Keywords:

Titanium nitride,first-principles calculation,oxidation

Titanium nitride (TiN) surfaces, which are expected as a material for transistors, form an oxide layer during the wet etching process in device fabrication. To address the miniaturization of devices to the nanometer scale, it is essential to understand the thickness of this oxide layer. In this study, we analyzed the initial oxidation process at the TiN surface by first-principles calculations. The results suggest that oxidation proceeds as OH groups or oxygen atoms fill nitrogen atoms vacancy formed at the subsurface.