X‐Ray Spectra, Energy Band Structure, and Superconductivity of V3X‐Type Compounds

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Abstract
X‐ray K‐emission bands of the metal atoms from Me3X‐compounds (V3Ga, V3Si, V3Ge, Cr3Si) are investigated. A multiple‐band structure of the energy spectrum is found characterized by a number of overlapping bands related to non‐metallic s‐, p‐, and metallic dp‐states. The results of theoretical calculations for V3Ga, V3Si, and V3Ge (Mattheiss [9]) are found to correlate well with experimental data. Some deviations, especially in the lower part of valence band are attributed to the choice of the crystal potential. On the basis of experimental results it seems possible to suggest theoretical calculations using a crystal potential corresponding to the 3d34s2 vanadium atom configuration. The relationship between the electronic structure of Me3X‐compounds and the change of their superconducting properties is discussed.