Band structure of ZrB2, VB2, NbB2, and TaB2 hexagonal diborides: Comparison with superconducting MgB2 |
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| Authors: | I R Shein A L Ivanovskii |
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| Institution: | (1) Institute of Solid-State Chemistry, Ural Division, Russian Academy of Sciences, Pervomaiskaya ul. 91, Yekaterinburg, 620219, Russia |
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| Abstract: | The band structure and Fermi surface parameters of ZrB2, VB2, NbB2, and TaB2 hexagonal diborides are considered in the framework of the self-consistent full-potential LMTO method in comparison with the relevant parameters of a MgB2 isostructural superconductor. The 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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