Journal of the Semiconductor & Display Technology (반도체디스플레이기술학회지)

The Korean Society Of Semiconductor & Display Technology (한국반도체디스플레이기술학회)
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Search for Adsorption Coordination of SiH4 or Al(CH3)3 on Si (001) Surface Using Genetic Algorithm and Density Functional theory

유전 알고리즘과 밀도 범함수 이론을 이용한 Si (001) 표면에서의 SiH4 또는 Al(CH3)3 전구체의 흡착 배위 탐색

  • Kim, Hyun-Kyu (School of Energy Materials and Chemical Engineering, Korea University of Technology and Education) ;
  • Kim, Jason (Department of Convergence IT Engineering, Pohang University of Science and Technology) ;
  • Kim, Yeong-Cheol (School of Energy Materials and Chemical Engineering, Korea University of Technology and Education)
  • 김현규 (한국기술교육대학교 에너지신소재화학공학부) ;
  • 김재선 (포항공과대학교 IT융합공학과) ;
  • 김영철 (한국기술교육대학교 에너지신소재화학공학부)
  • Received : 2021.09.14
  • Accepted : 2021.12.14
  • Published : 2021.12.31
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Abstract

We search for an appropriate initial adsorption coordination of precursor on surface by using genetic algorithm (GA) and density functional theory. SiH4 and Al(CH3)3 as precursor, and OH-terminated Si (001) as surface are used for this study. Selection, crossover, and mutation as hyperparameters of GA are applied to search for the adsorption coordination of the precursors on the surface as a function of generation. Bond distances between precursors and the surface are used to explain the adsorption behavior of the precursors.

Keywords

Acknowledgement

이 논문은 2019년도 한국기술교육대학교 교육연구진흥과제 연구비 지원에 의하여 연구되었습니다.

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