期刊
CHEMICAL PHYSICS LETTERS
卷 501, 期 4-6, 页码 437-441出版社
ELSEVIER SCIENCE BV
DOI: 10.1016/j.cplett.2010.11.050
关键词
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资金
- Spanish Ministerio de Ciencia e Innovacion (MICINN) [CSD2008-00023, MAT2007-66719-C03-03]
- Comunidad de Madrid [S2009/MAT-1726]
- European Union [CT-2004-506008]
- Conselho Nacional de Desenvolvimento Cientifico e Tecnologico (CNPq)
We studied the Ni 2p core-level spectra of NiO using cluster model calculations and X-ray photoemission spectra. The calculations were performed for a NiO6, a NiO5, and a NiO6:NiO5 cluster, which allows studying the bulk, the surface, and the non-local effects in the spectra. The photoemission spectra were taken with soft (or hard) X-rays to enhance the surface (or bulk) contribution. The calculation shows that both surface and non-local-effects contribute to the shoulder in the experimental data. The photoemission spectra show that the relative intensity of the surface contribution decreases for Hard X-rays. (C) 2010 Elsevier B. V. All rights reserved.
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