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VOLUME 92 | ISSUE 5 | PAGE 381
Structural, electronic properties and Fermi surface of the new non-centrosymmetric superconductors: 3.6 K CaIrSi3 and 2.3 K CaPtSi 3
V. V. Bannikov, I. R. Shein, A. L. Ivanovskii

Institute of Solid State Chemistry, Ural Branch RAS, 620990 Ekaterinburg, Russia

Abstract
First-principles FLAPW-GGA calculations were performed to investigate structural properties, electronic band structure, and Fermi surface topology of the newly discovered non-centrosymmetric superconductors: 3.6 K CaIrSi3 and 2.3 K CaPtSi3. As a result, the peculiarities of the crystal structure, electronic bands, total and site-projected l-decomposed DOSs, and the shape of the Fermi surface for CaIrSi3 and CaPtSi3 were obtained and analyzed.


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