Effective charges of the valence shells on atoms of A15 chemical compounds |
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Authors: | B.N. Kodess I.A. Massalimov |
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Affiliation: | Institute of Nuclear Physics, Moscow State University, 117234, Moscow, USSR |
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Abstract: | X-ray diffraction data are used to calculate the charges of the valence shells of Si and V in V3Si. The subsequent integration of the deformation density indicates that the charges on Si atoms decrease and on V atoms increase in comparison with the charges on free atoms. The magnitude of charge transfer are compared to the results of self-consistent band structure calculation. The observed increase of charge for atom V may be associated with the compression of the 3d-shells of V in V3Si. |
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