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Electron Localization in Solid‐State Structures of the Elements: the Diamond Structure

Angewandte Chemie International Edition in English · 1992 · Vol. 31(2) · pp. 187–188

Andreas Savin✉(University of Stuttgart)O. Jepsen(Max Planck Institute for Solid State Research)Jürgen Flad(University of Stuttgart)O. K. Andersen(Max Planck Institute for Solid State Research)Heinzwerner Preuß(University of Stuttgart)Hans Georg̀ von Schnering(Max Planck Institute for Solid State Research)

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Abstract

To determine solid-state structures, the electron localization function (ELF) must be interpreted somewhat differently than for molecules. The example of the diamond structures of C (right, top), Si, Ge, and α- and β-Sn (right, bottom) show clearly that ELF depicts the electronic changes in regional space as the covalent bond gives way to metallic bonding.

Advanced Chemical Physics Studies Boron and Carbon Nanomaterials Research Inorganic Chemistry and MaterialsDiamondCovalent bondElectron localization functionSolid-stateElectronMetallic bondingElectronic structureDiamond cubicMaterials scienceCrystallography

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