کد مقاله | کد نشریه | سال انتشار | مقاله انگلیسی | نسخه تمام متن |
---|---|---|---|---|
5423884 | 1395805 | 2009 | 5 صفحه PDF | دانلود رایگان |
Basing on the results of the scanning tunneling microscopy (STM) observations and density functional theory (DFT) calculations, the structural model for the Cu magic clusters formed on Si(1Â 1Â 1)7Â ÃÂ 7 surface has been proposed. Using STM, composition of the Cu magic clusters has been evaluated from the quantitative analysis of the Cu and Si mass transport occurring during magic cluster converting into the Si(1Â 1Â 1)'5.5Â ÃÂ 5.5'-Cu reconstruction upon annealing. Evaluation yields that Cu magic cluster accommodates â¼20 Cu atoms with â¼20 Si atoms being expelled from the corresponding 7Â ÃÂ 7 half unit cell (HUC). In order to fit these values, it has been suggested that the Cu magic clusters resemble fragments of the Cu2Si-silicide monolayer incorporated into the rest-atom layer of the Si(1Â 1Â 1)7Â ÃÂ 7 HUCs. Using DFT calculations, stability of the nineteen models has been tested of which five models appeared to have formation energies lower than that of the original Si(1Â 1Â 1)7Â ÃÂ 7 surface. The three of five models having the lowest formation energies have been concluded to be the most plausible ones. They resemble well the evaluated composition and their counterparts are found in the experimental STM images.
Journal: Surface Science - Volume 603, Issue 18, 15 September 2009, Pages 2874-2878