화학공학소재연구정보센터
학회 한국화학공학회
학술대회 2022년 봄 (04/20 ~ 04/23, 제주국제컨벤션센터)
권호 28권 1호, p.66
발표분야 [주제 1] 계산화학
제목 DFT-based kinetic Monte Carlo study of TiN film growth in atomic layer deposition
초록 Titanium nitride (TiN) has been widespread used in IC industry as a component for metal gates and diffusion barriers, due to its low electrical conductivity and thermal stability. Among several deposition techniques for TiN, atomic layer deposition (ALD) using TiCl4 and NH3 is of significant interest as it enables highly conformal deposition and thickness control at moderate temperature. Although there are still technical issues such as Cl contamination, surface kinetics and even the reaction thermodynamics have not been clarified. So a full understanding of surface reaction mechanism is required to further deal with issues in TiN ALD using TiCl4/NH3. In this study, we constructed a kinetic Monte Carlo (kMC) model to simulate a TiN ALD process, based on surface reaction mechanisms calculated with DFT. Especially, we compared our growth per cycle (GPC) and Cl contamination ratio data to experimental results, and analyzed the origin of given results.
저자 안형민, 김상태, 오상민, 한승우
소속 서울대
키워드 열역학분자모사(Thermodynamics)
E-Mail
원문파일 초록 보기