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

TL;DR

This study uses first-principles calculations to explore the electronic structure and elastic properties of the newly discovered superconductor Nb2InC, providing detailed insights into its behavior and characteristics.

Contribution

It presents the first detailed electronic and elastic property analysis of Nb2InC based on first-principles calculations, including Fermi surface and elastic anisotropy.

Findings

Electronic bands and Fermi surface shape characterized.

Elastic constants and moduli evaluated and analyzed.

Insights into brittle/ductile behavior provided.

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.