Effective charges of the valence shells on atoms of A15 chemical compounds

X-ray diffraction data are used to calculate the charges of the valence shells of Si and V in V3 Si. The subsequent integration of the deformation density indicates that the charges on Si atoms decrease and on V atoms increase in comparison with 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. (author)