Tight-Binding study of the electronic and magnetic properties of an L1_0 ordered FeCu alloy

TL;DR

This study uses a tight-binding model to analyze the electronic and magnetic properties of the L1_0 ordered FeCu alloy, revealing its ferromagnetic nature and specific lattice parameter ratio.

Contribution

It provides a detailed tight-binding analysis of FeCu's electronic structure and magnetic properties, including equilibrium lattice parameters.

Findings

FeCu is ferromagnetic according to total energy calculations.

Equilibrium interlayer to intralayer lattice parameter ratio is 0.947.

Electronic structure characterized by self-consistent tight-binding Hamiltonian.

Abstract

We have calculated the electronic structure of the tetragonal L1$_0$ ordered FeCu by solving self-consistently a tight-binding Hamiltonian for s, p and d electrons. We have found by total energy calculation that this structure is ferromagnetic. In addition, we have determined that the equilibrium ratio between the interlayer and the intralayer lattice parameters is 0.947.