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Surface core level shift observed on NiAl(110)

Stierle, A; Tieg, C; Dosch, H; Formoso, V; Lundgren, Edvin LU ; Andersen, Jesper N LU ; Kohler, L and Kresse, G (2003) In Surface Science 529(3). p.263-268
Abstract
Using high resolution core level spectroscopy, a surface core level shift towards lower binding energy of -0.13 eV is determined for the 2p level of the outwardly relaxed Al surface atoms on NiAl(110). Density functional theory based calculations with inclusion of final state effects yield a value of -0.14 eV for this shift in excellent agreement with experiment. We show that the initial state approximation yields a value of +0.09 eV, i.e. the inclusion of final state relaxation effects is vital not only to obtain the correct value but even the correct sign for this shift. (C) 2003 Elsevier Science B.V. All rights reserved.
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author
organization
publishing date
type
Contribution to journal
publication status
published
subject
keywords
surface electronic phenomena, photoelectron emission, spectroscopy, density functional calculations, synchrotron radiation photoelectron, (work function, surface potential, surface states etc.)
in
Surface Science
volume
529
issue
3
pages
263 - 268
publisher
Elsevier
external identifiers
  • wos:000182192500003
  • scopus:0037430907
ISSN
0039-6028
DOI
10.1016/S0039-6028(03)00329-7
language
English
LU publication?
yes
id
ce451df7-c8d9-4a60-a911-b8a0c6e4a305 (old id 313225)
date added to LUP
2007-09-22 12:49:43
date last changed
2018-01-07 09:36:22
@article{ce451df7-c8d9-4a60-a911-b8a0c6e4a305,
  abstract     = {Using high resolution core level spectroscopy, a surface core level shift towards lower binding energy of -0.13 eV is determined for the 2p level of the outwardly relaxed Al surface atoms on NiAl(110). Density functional theory based calculations with inclusion of final state effects yield a value of -0.14 eV for this shift in excellent agreement with experiment. We show that the initial state approximation yields a value of +0.09 eV, i.e. the inclusion of final state relaxation effects is vital not only to obtain the correct value but even the correct sign for this shift. (C) 2003 Elsevier Science B.V. All rights reserved.},
  author       = {Stierle, A and Tieg, C and Dosch, H and Formoso, V and Lundgren, Edvin and Andersen, Jesper N and Kohler, L and Kresse, G},
  issn         = {0039-6028},
  keyword      = {surface electronic phenomena,photoelectron emission,spectroscopy,density functional calculations,synchrotron radiation photoelectron,(work function,surface potential,surface states etc.)},
  language     = {eng},
  number       = {3},
  pages        = {263--268},
  publisher    = {Elsevier},
  series       = {Surface Science},
  title        = {Surface core level shift observed on NiAl(110)},
  url          = {http://dx.doi.org/10.1016/S0039-6028(03)00329-7},
  volume       = {529},
  year         = {2003},
}