Initial Stages of Oxygen Chemisorption on the Ge(001) Surface

Title: Initial Stages of Oxygen Chemisorption on the Ge(001) Surface
Creator: Shah, G. Ali; Radny, Marian W.; Smith, Phillip V.
Relation: Journal of Physical Chemistry Part C Vol. 118, Issue 29, p. 15795-15803
Publisher Link: http://dx.doi.org/10.1021/jp503541n
Publisher: American Chemical Society
Resource Type: journal article
Date: 2014
Description: There is currently considerable interest in processes associated with the modification of germanium surfaces due to their potential application in electronic components such as MOSFETs. In this work, we combine first-principles total energy and reaction path calculations to study the initial stages of the oxidation of the Ge(001) surface due to the adsorption of both atomic and molecular oxygen. The obtained results provide real insights regarding several outstanding issues in the literature, including the identification of key features observed in the experimental studies. Three new structures for oxygen adsorption on Ge(001) have been examined, at least one of which is predicted to be likely to occur. Scanning Tunnelling Microscopy (STM) images have also been simulated for comparison with the experimental data.
Subject: germanium; oxygen chemisorption; Ge(001); atomic oxygen; molecular oxygen
Identifier: http://hdl.handle.net/1959.13/1304230
Identifier: uon:20834
Identifier: ISSN:1932-7447
Language: eng
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