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Effects of configuration-dependent hybridization on core-level photoemission spectra
Affiliation:1. Faculty of Education, Yamaguchi University, 1677-1, Yoshida, Yamaguchi 753, Japan;2. Institute for Solid State Physics, University of Tokyo, 7-22-1, Roppongi, Minato-ku, Tokyo 106, Japan;1. Powder Technology Laboratory, Ecole Polytechnique Fédérale de Lausanne, Station 12, 1015, Lausanne, Switzerland;2. Department for Materials Synthesis, Jožef Stefan Institute, Jamova 39, 1000, Ljubljana, Slovenia;3. Institute of Mathematics, Physics and Mechanics, Jadranska 19, 1000, Ljubljana, Slovenia;4. Faculty of Chemistry and Chemical Technology, University of Maribor, Smetanova 17, 2000, Maribor, Slovenia;5. Laboratory of Crystallography, Ecole Polytechnique Fédérale de Lausanne, BSP Cubotron, 1015, Lausanne, Switzerland;6. School of Pharmaceutical Sciences, University of Geneva-University of Lausanne, Quai Ernest-Ansermet 30, 1211, Geneva, Switzerland;7. Laboratory for Surface and Thin Film Analysis, Jožef Stefan Institute, Jamova 39, 1000, Ljubljana, Slovenia;8. Laboratory for Materials Chemistry, National Institute of Chemistry, Hajdrihova 19, 1000, Ljubljana, Slovenia;1. Faculty of Chemistry, Adam Mickiewicz University in Poznan, Umultowska 89b, Poznań 61-614, Poland;2. Institute of Physics-CSE, Silesian University of Technology, Konarskiego 22, Gliwice 44100, Poland;1. American University of Sharjah, Department of Chemical Engineering, P.O. Box 26666, Sharjah, United Arab Emirates;2. American University of Sharjah, Department of Chemistry, Biology and Environmental Sciences, P.O. Box 26666, Sharjah, United Arab Emirates;3. American University of Sharjah, Department of Physics, P.O. Box 26666, Sharjah, United Arab Emirates;4. School of Pharmacy and Life Sciences, Robert Gordon University, Aberdeen, AB10 7GJ, United Kingdom;1. Department of Materials Engineering, NED University of Engineering and Technology, Pakistan;2. U.S.-Pakistan Centre for Advanced Studies in Energy (USPCAS-E), National University of Sciences and Technology (NUST), Islamabad, Pakistan;3. Department of Chemistry, KOC University, Turkey;1. Physics Department, Shahid Beheshti University G.C., Evin, Tehran, Iran;2. Laser-Plasma Research Institute, Shahid Beheshti University G.C., Evin, Tehran 19839, Iran;3. Faculty of Physics, Science Department, Yazd University, P.O. Box 89195-741, Yazd, Iran
Abstract:
The Ni2p X-ray photoemission spectrum (XPS) for NiCl2 is reanalyzed on the basis of a NiCl64− cluster model. By taking into account the electron configuration dependence of the hybridization strengths between Ni3d and Cl3p orbitals, we show that the model can consistently reproduce the experimental 2p-XPS and the energy gap of the system.
Keywords:
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