Electron-Ion Correlation in Liquid Aluminum

概要

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The structure factor of liquid aluminum at 670'C has been newly determined byneutron diffraction with sufficient accuracy and compared with the structural data ob-tained by X-ray diffraction. A remarkable difference in these two structural informa-tions is clearly detected and it is apparently larger than the experimental uncertainties.The ion-electron correlation function in liquid aluminum has been estimated fromthis difference with the help of theoretical values of the electron-electron correlationfunction by the Utsumi-Ichimaru scheme, and the valence electron charge distribution around an ion in liquid aluminum was obtained. The present result is found toagree well with the distribution function of valence electrons in solid aluminum usingthe pseudopotential method and suggests that the valence electrons in liquidaluminum would most likely behave as nearly free, although there is a minor mixingwith the atomic wave function at the close vicinity of the ionic radius, correspondingto the orthogonalised plane wave.
社団法人日本物理学会の論文
1991-07-15