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Abstract:
Ba compounds behave very unusual in XPS-studies as they exhibit only small and often negative binding energy shifts. Four different explanations have been given for these observation. To provide a more quantitative basis for these different models and to shed new light on the unusual behaviour of Ba compounds, we calculated total and 1-projected densities of states for Ba metal and three Ba compounds. All four explanations given up to now are not in qualitative agreement with the obtained results. A different possible explanation is discussed.
