Structure of the oxidized 4H–SiC(0 0 0 1)-3 × 3 surface

Autor:	Tomoaki Urata, Hiroshi Kawata, Koichi Akimoto, Wolfgang Voegeli, Shinichiro Nakatani, Hiroshi Sugiyama, Yoshiyuki Hisada, Yoshihito Mitsuoka, Shinichi Mukainakano, Toshio Takahashi, Kazushi Sumitani, Xiaowei Zhang
Rok vydání:	2007
Předmět:	Diffraction Surface (mathematics) Chemistry Analytical chemistry Surfaces and Interfaces Condensed Matter Physics Surfaces Coatings and Films chemistry.chemical_compound Crystallography Adsorption Oxygen atom Tetramer X-ray crystallography Materials Chemistry Silicon carbide Molecular oxygen
Zdroj:	Surface Science. 601:1048-1053
ISSN:	0039-6028
DOI:	10.1016/j.susc.2006.11.048
Popis:	We have determined the structure of the 4H–SiC(0 0 0 1)-3 × 3 surface after exposure to small amounts of molecular oxygen at room temperature using surface X-ray diffraction. The 3 × 3 reconstruction remains until at least an exposure of 10,000 L, but the diffracted intensities change, indicating structural changes. Comparison of the Patterson maps of the clean and oxidized surface shows that the main changes occur at the Si tetramer on top of the 3 × 3 surface. Atomic positions for several models were fitted to the experimental data. A model in which oxygen atoms are inserted into the Si tetramer gives the best fit to the experimental data. The best-fit atomic positions agree well with those obtained using density functional calculations.
Databáze:	OpenAIRE
Externí odkaz:	https://explore.openaire.eu/search/publication?articleId=doi_________::649c89e7e300e820146e3ede5c651066 https://doi.org/10.1016/j.susc.2006.11.048 Zobrazit plný text záznamu Full Text from ScienceDirect