Please use this identifier to cite or link to this item: https://doi.org/10.1016/j.susc.2003.09.023
Title: Structure of Fe(3 1 0) studied by quantitative LEED analysis and pseudopotential DFT calculations
Authors: Sun, Y.Y. 
Xu, H. 
Feng, Y.P. 
Huan, A.C.H. 
Wee, A.T.S. 
Keywords: Density functional calculations
High index single crystal surfaces
Iron
Low energy electron diffraction (LEED)
Surface relaxation and reconstruction
Issue Date: 1-Dec-2003
Source: Sun, Y.Y., Xu, H., Feng, Y.P., Huan, A.C.H., Wee, A.T.S. (2003-12-01). Structure of Fe(3 1 0) studied by quantitative LEED analysis and pseudopotential DFT calculations. Surface Science 546 (2-3) : L808-L812. ScholarBank@NUS Repository. https://doi.org/10.1016/j.susc.2003.09.023
Abstract: In view of the discrepancy in the literature with regard to the structure of Fe(310), we have investigated this surface by a refined quantitative LEED analysis and a pseudopotential DFT study. Similar results to a previous LEED analysis have been obtained by our new LEED analysis. Our pseudopotential calculations have reproduced the relaxation sequence of the interlayer spacings determined by our LEED analysis, i.e., - + - + with the largest discrepancy in the structural parameters less than 0.04 Å. A large lateral relaxation of the interlayer registry between the first and second layers has been confirmed by our LEED analysis and pseudopotential calculations. © 2003 Published by Elsevier B.V.
Source Title: Surface Science
URI: http://scholarbank.nus.edu.sg/handle/10635/98068
ISSN: 00396028
DOI: 10.1016/j.susc.2003.09.023
Appears in Collections:Staff Publications

Show full item record
Files in This Item:
There are no files associated with this item.

SCOPUSTM   
Citations

4
checked on Feb 21, 2018

WEB OF SCIENCETM
Citations

3
checked on Jan 16, 2018

Page view(s)

31
checked on Feb 18, 2018

Google ScholarTM

Check

Altmetric


Items in DSpace are protected by copyright, with all rights reserved, unless otherwise indicated.