First-principles study of electronic band structure and elastic properties of superconducting nanolaminate Ti2InC

TL;DR

This study uses first-principles calculations to analyze the electronic band structure and elastic properties of the superconducting nanolaminate Ti2InC, providing new insights into its fundamental characteristics.

Contribution

It presents the first computational evaluation of the elastic parameters of polycrystalline Ti2InC ceramics using the FLAPW-GGA method.

Findings

Electronic band structure and density of states analyzed.

Elastic constants and moduli calculated.

Elastic parameters of Ti2InC ceramics estimated for the first time.

Abstract

The full-potential linearized augmented plane wave method with the generalized gradient approximation for the exchange-correlation potential (FLAPW-GGA) is used to predict the electronic and elastic properties of the newly discovered superconducting nanolaminate Ti2InC. The band structure, density of states and Fermi surface features are discussed. The optimized lattice parameters, independent elastic constants, bulk and shear moduli, compressibility are evaluated and discussed. The elastic parameters of the polycrystalline Ti2InC ceramics are estimated numerically for the first time.