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Electron Localization in Solid‐State Structures of the Elements: the Diamond Structure
Author(s) -
Savin Andreas,
Jepsen Ove,
Flad Jürgen,
Andersen Ole Krogh,
Preuss Heinzwerner,
von Schnering Hans Georg
Publication year - 1992
Publication title -
angewandte chemie international edition in english
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 5.831
H-Index - 550
eISSN - 1521-3773
pISSN - 0570-0833
DOI - 10.1002/anie.199201871
Subject(s) - diamond , covalent bond , electron localization function , solid state , electron , metallic bonding , electronic structure , diamond cubic , materials science , crystallography , chemical bond , metal , atomic physics , chemical physics , nanotechnology , condensed matter physics , chemistry , physics , engineering physics , quantum mechanics , metallurgy
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.