Please use this identifier to cite or link to this item:
|Title:||Oxygen-induced surface state on diamond (100)||Authors:||Zheng, J.C.
Density of states
Negative electron affinity
|Issue Date:||Mar-2001||Citation:||Zheng, J.C., Xie, X.N., Wee, A.T.S., Loh, K.P. (2001-03). Oxygen-induced surface state on diamond (100). Diamond and Related Materials 10 (3-7) : 500-505. ScholarBank@NUS Repository. https://doi.org/10.1016/S0925-9635(00)00439-8||Abstract:||The electronic structure of oxygenated diamond (100) surface is studied comparatively by experimental photoemission techniques and first principles calculations. Controlled oxygenation of the diamond (100) 2 × 1 surface at 300°C yields a smooth O:C (100) 1 × 1 surface with a distinctive emission state at ∼ 3 eV from the Fermi edge. Oxygenation of the hydrogenated surface at temperatures above 500°C, however, gives rise to extensive etching and roughening of the surface. The experimentally observed emission state at ∼ 3 eV following O adsorption is assigned to the O-induced surface state. When the oxygenated surface is annealed to 800°C to desorb chemisorbed O, the surface structure changes from 1 × 1 to 2 × 1 and another surface state emission at 2.5 eV associated with the clean surface reconstruction can be observed by UPS. This is attributed to the π-bond reconstruction of sub-surface carbon layers following the desorption of first layer CO from the surface. To understand the origin of the O-induced emission state, we calculated the density of states (DOS) of the oxygenated diamond using the first principles linear muffin-tin orbital (LMTO) method with atomic sphere approximation (ASA) based on density functional theory (DFT) and local density approximation (LDA). © 2001 Elsevier Science B.V. All rights reserved.||Source Title:||Diamond and Related Materials||URI:||http://scholarbank.nus.edu.sg/handle/10635/76718||ISSN:||09259635||DOI:||10.1016/S0925-9635(00)00439-8|
|Appears in Collections:||Staff Publications|
Show full item record
Files in This Item:
There are no files associated with this item.
Items in DSpace are protected by copyright, with all rights reserved, unless otherwise indicated.