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The band structure of hexagonal diborides ZrB2, VB2, NbB2 and TaB2 in comparison with the superconducting MgB2

I. R. Shein·A. L. Ivanovskii
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Abstract

The band structure and the Fermi surface of hexagonal diborides ZrB2, VB2, NbB2, TaB2 have been studied by the self-consistent full-potential LMTO method and compared with those for the isostructural superconductor MgB2. Factors responsible for the superconducting properties of AlB2-like diborides are analyzed, and the results obtained are compared with previous calculations and available experimental data.

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I. R. Shein, A. L. Ivanovskii. 2001-09-26. The band structure of hexagonal diborides ZrB2, VB2, NbB2 and TaB2 in comparison with the superconducting MgB2. https://arxiv.org/abs/cond-mat/0109445

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