Please use this identifier to cite or link to this item:
|Title:||Adsorption geometry of potassium on a Si(100) 2×1 surface|
|Citation:||Ong, C.K. (1990). Adsorption geometry of potassium on a Si(100) 2×1 surface. Journal of Physics: Condensed Matter 2 (32) : 6731-6734. ScholarBank@NUS Repository. https://doi.org/10.1088/0953-8984/2/32/003|
|Abstract:||A 63-atom cluster is employed, in a self-consistent semi-empirical molecular orbital total energy algorithm, to calculate the binding energies of potassium atoms adsorbed on a Si(100) (2*1) reconstructed surface at various possible adsorption sites, namely, sites H, B and C. The authors results strongly suggest that the B site is the most stable one. The results of a half-monolayer coverage calculation show that the double-layered structure of potassium atoms is feasible and in accordance with recent experimental observations. However, the bond length between Si and K, dSi -K, is found to be around 15% lower than the experimental determination. From the Mulliken population analysis, the amount of charge transferred from Si to K atoms varies from 0.01 to 0.32 of the electronic charge at various adsorption sites.|
|Source Title:||Journal of Physics: Condensed Matter|
|Appears in Collections:||Staff Publications|
Show full item record
Files in This Item:
There are no files associated with this item.
checked on Feb 22, 2019
WEB OF SCIENCETM
checked on Feb 5, 2019
checked on Jan 25, 2019
Items in DSpace are protected by copyright, with all rights reserved, unless otherwise indicated.