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- W2322271716 abstract "The changes in electronic structure around each metal atom in an alloy are more accurately described in terms of electron redistribution than electron transfer. The important elements in a model for such electron redistribution are the electron configuration and radius of the positive ion cores and the conduction electron density and its variation in the interstitial regions. Positive ion core radii for metals are derived from an empirical relation between ion core radii and intermetallic distance with electronic configurations of the core from positron annihilation data. These derived ion core radii are in good agreement with those calculated for metal electron densities by Welch and Lynn from Hartree-Fock wave functions. Average conduction electron densities can be directly calculated from these radii and the experimental atomic volume; the variation of conduction electron density in the interstitial region is calculated by assigning electrons to octahedral and tetrahedral interstices according to the Interstitial Electron Model. The calculated electron densities and the interstitial variation agree very well with the experimental electron densities of Be as determined from X-ray diffraction data as well as with calculated electron densities for Na, Mg and Al. Ion core configurations are compared with those derived from band theory and also those of the Engle-Brewer Correlation and the Samsonov-Pryadkov-Pryadkov Configurational Model." @default.
- W2322271716 created "2016-06-24" @default.
- W2322271716 creator A5087477364 @default.
- W2322271716 date "1981-01-01" @default.
- W2322271716 modified "2023-10-08" @default.
- W2322271716 title "Electron density and electron redistribution in alloys—I" @default.
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- W2322271716 doi "https://doi.org/10.1016/0022-3697(81)90090-1" @default.
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