Anionic character of the conduction band of sodium chloride

Christopher C. Leon, Abhishek Grewal, Klaus Kuhnke (), Klaus Kern and Olle Gunnarsson ()
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Christopher C. Leon: Max-Planck-Institut für Festkörperforschung
Abhishek Grewal: Max-Planck-Institut für Festkörperforschung
Klaus Kuhnke: Max-Planck-Institut für Festkörperforschung
Klaus Kern: Max-Planck-Institut für Festkörperforschung
Olle Gunnarsson: Max-Planck-Institut für Festkörperforschung

Nature Communications, 2022, vol. 13, issue 1, 1-6

Abstract: Abstract The alkali halides are ionic compounds. Each alkali atom donates an electron to a halogen atom, leading to ions with full shells. The valence band is mainly located on halogen atoms, while, in a traditional picture, the conduction band is mainly located on alkali atoms. Scanning tunnelling microscopy of NaCl at 4 K actually shows that the conduction band is located on Cl− because the strong Madelung potential reverses the order of the Na+ 3s and Cl− 4s levels. We verify this reversal is true for both atomically thin and bulk NaCl, and discuss implications for II-VI and I-VII compounds.

Date: 2022
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DOI: 10.1038/s41467-022-28392-8

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