Silicon nitride chemical vapor deposition from dichlorosilane and ammonia: theoretical study of surface structures and reaction mechanism

Autor:	J. Vernon Cole, Matthew W. Stoker, Andrei A. Safonov, Anatoli Korkin, Alexander A. Bagaturyants, Konstantin P. Novoselov
Rok vydání:	2001
Předmět:	Reaction mechanism Chemistry Dangling bond Dichlorosilane Crystal growth Surfaces and Interfaces Chemical vapor deposition Condensed Matter Physics Surfaces Coatings and Films chemistry.chemical_compound Chemical bond Silicon nitride Chemisorption Materials Chemistry Physical chemistry
Zdroj:	Surface Science. 486:213-225
ISSN:	0039-6028
Popis:	The structure of a Si3N4 film and the mechanism of Si3N4 film growth along the [0 0 0 1] crystal direction during chemical vapor deposition have been examined using ab initio MP2/6-31G** calculations. The silicon nitride (0 0 0 1) surface and deposited (chemisorbed) species on this surface were described using cluster models. It was found that the dangling bonds of chemically bound Si and N atoms on the bare surface are relaxed to form additional π bonds or SiN surface double bonds. Energies of reaction and activation energies were calculated and the process of Si3N4 film growth was analyzed. It was found that the removal of chemically bound hydrogen from the surface is the rate-controlling step of the deposition process.
Databáze:	OpenAIRE
Externí odkaz:	https://explore.openaire.eu/search/publication?articleId=doi_________::c5ac365f965bdff93682ba7ce8e299c2 https://doi.org/10.1016/s0039-6028(01)01050-0 Zobrazit plný text záznamu Full Text from ScienceDirect