Electronic and elastic properties of the superconducting nanolaminate Ti2InC |
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Authors: | I.?R.?Shein A.?L.?Ivanovski? |
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Affiliation: | (1) Institute of Solid State Chemistry, Ural Division, Russian Academy of Sciences, ul. Pervomaĭskaya 91, Yekaterinburg, 620041, Russia |
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Abstract: | The electronic properties and elastic parameters of the superconducting nanolaminate Ti2InC are analyzed using the ab initio full-potential linearized augmented-plane-wave (FLAPW) method with the generalized gradient approximation (GGA) of the local spin density. The equilibrium parameters of the crystal lattice, the band structure, the total and partial densities of states, and the Fermi surface are determined within a unified approach. The independent elastic constants, the bulk modulus, and the shear modulus are calculated, and the elastic parameters are numerically estimated for the first time for polycrystalline Ti2InC. |
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