The first electronic-band calculation for VSi2, the phase produced by the interface reaction between silicon and vanadium, has been performed using a linear combination of atomic orbitals approach in the extended Hückel approximation. The A 15 compound, V3Si, also has been investigated. The chemical bond in both compounds is found to be determined mainly by the p-d (Si-V) interaction. The d-d (V-V) interaction is also important in determining the physical properties of the compound. These interactions increase in strength with the metal concentration. The small charge transfer found in these compounds indicates a metallic bond picture. These results are used to interpret spectroscopic measurements of ultraviolet and synchrotron-radiation photoemission.

Electronic structure of Vanadium Silicides / Bisi, Olmes; L. W., Chiao. - In: PHYSICAL REVIEW. B, CONDENSED MATTER. - ISSN 0163-1829. - STAMPA. - 25:(1982), pp. 4943-4948.

Electronic structure of Vanadium Silicides

BISI, Olmes;
1982

Abstract

The first electronic-band calculation for VSi2, the phase produced by the interface reaction between silicon and vanadium, has been performed using a linear combination of atomic orbitals approach in the extended Hückel approximation. The A 15 compound, V3Si, also has been investigated. The chemical bond in both compounds is found to be determined mainly by the p-d (Si-V) interaction. The d-d (V-V) interaction is also important in determining the physical properties of the compound. These interactions increase in strength with the metal concentration. The small charge transfer found in these compounds indicates a metallic bond picture. These results are used to interpret spectroscopic measurements of ultraviolet and synchrotron-radiation photoemission.
1982
25
4943
4948
Electronic structure of Vanadium Silicides / Bisi, Olmes; L. W., Chiao. - In: PHYSICAL REVIEW. B, CONDENSED MATTER. - ISSN 0163-1829. - STAMPA. - 25:(1982), pp. 4943-4948.
Bisi, Olmes; L. W., Chiao
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Utilizza questo identificativo per citare o creare un link a questo documento: https://hdl.handle.net/11380/449336
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