Fluorination of Si(001)-2×1 surface near step edges: A mechanism for surface defect induced etching

Autor:	Deepak Srivastava, Tracy A. Schoolcraft, Timur Halicioglu
Rok vydání:	1999
Předmět:	Silicon Binding energy chemistry.chemical_element Surfaces and Interfaces Condensed Matter Physics Molecular physics Crystallographic defect Surfaces Coatings and Films Molecular dynamics chemistry Computational chemistry Etching (microfabrication) Desorption Fluorine Anisotropy
Zdroj:	Journal of Vacuum Science & Technology A: Vacuum, Surfaces, and Films. 17:657-661
ISSN:	1520-8559 0734-2101
DOI:	10.1116/1.581633
Popis:	Fluorination of a dimerized Si(001)-2×1 surface near single-layer high step edges has been studied with molecular statics and dynamics simulations using the Stillinger–Weber potential for Si–Si, Si–F, and F–F interactions. Binding energies for up to three F atoms on Si atoms at the step edges have been investigated for fully relaxed systems. We find that F-bonded Si atoms relax away from the surface with increasing fluorination which lowers the desorption/etching energies of SiFx(x=1,3) species. Room temperature molecular dynamics simulations then show direct etching of SiF3 from Si atoms bonded to step edges. The calculations predict an anisotropy in the step edge induced etching of the Si(001)-2×1 surface. This is in qualitative agreement with an experimental observation on the same surface though using Cl instead of F atoms.
Databáze:	OpenAIRE
Externí odkaz:	https://explore.openaire.eu/search/publication?articleId=doi_________::6c75c7a5cf707fc71d653982d2e532e9 https://doi.org/10.1116/1.581633 Zobrazit plný text záznamu