Surface core level shift observed on NiAl(110)
(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.
Please use this url to cite or link to this publication:
https://lup.lub.lu.se/record/313225
- author
- Stierle, A ; Tieg, C ; Dosch, H ; Formoso, V ; Lundgren, Edvin LU ; Andersen, Jesper N LU ; Kohler, L and Kresse, G
- organization
- publishing date
- 2003
- 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
- 2016-04-01 16:52:43
- date last changed
- 2022-01-28 22:50:14
@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}}, keywords = {{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}}, doi = {{10.1016/S0039-6028(03)00329-7}}, volume = {{529}}, year = {{2003}}, }