| DEMS와 H-terminated Si (001) 표면의 상호작용: 제일원리연구 |
| 김대현, 김대희, 박소연1, 서화일2, 이도형1, 김영철 |
한국기술교육대학교 신소재공학과
1(주) 아토
2한국기술교육대학교 정보기술공학부 |
| Interaction of DEMS with H-terminated Si (001) Surface: A First Principles Study |
| Dae-Hyun Kim, Dae-Hee Kim, So-Yeon Park1, Hwa-Il Seo2, Do-Hyoung Lee1, Yeong-Cheol Kim |
Department of Materials Engineering, Korea University of Technology and Education
1ATTO Co. LTD.
2School of Information Technology, Korea University of Technology and Education |
|
|
|
|
|
| ABSTRACT |
|
We performed a density functional theory study to investigate the interaction of DEMS (diethoxymethylsilane) with the H-terminated Si (001) surface. The optimum structure of DEMS was first calculated by a first principles study. The dissociation probability of the O-C bond of DEMS was higher than the other seven bonds based on the bond energy calculation. When the fragmented DEMS groups reacted with the H-terminated Si (001) surface, it was the most favorable among the eight reactions to form a bond between the Si atom on the surface and the O atom of a fragmented DEMS group (($C_2H_5O$)Si($CH_3$)(H)-O-) by forming a $C_2H_6$ as by-product. |
| Key words:
DEMS, Diethoxymethylsilane, First principles study, SiOCH, Low-k |
|
|
|
PDF Links
Full text via DOI
Download Citation 
