Electronic and elastic properties of the new 7.5K superconductor Nb2InC from first principles

I.R. Shein, A.L. Ivanovskii*


Institute of Solid State Chemistry, Ural Branch of the Russian Academy of Sciences, 620990, Ekaterinburg, Russia


Abstract

First-principles calculations were performed to investigate electronic and elastic properties of the newly discovered 7.5K superconductor: layered Nb2InC. As a result, electronic bands, total and site-projected l- decomposed DOS at the Fermi level, shape of the Fermi surface for Nb2InC were obtained for the first time. Besides, independent elastic constants, bulk modulus, compressibility, shear modulus, Young’s modulus, Poisson’s ratio together with the elastic anisotropy parameters and indicator of brittle/ductile behavior of Nb2InC were evaluated and analyzed in comparison with the available data.

https://arxiv.org/ftp/arxiv/papers/1004/1004.1020.pdf