Study of the structural and electronic properties of the Heusler Co2FeGe alloy by DFT approach

TL;DR

This study uses DFT calculations to analyze the structural, electronic, and magnetic properties of the Co2FeGe Heusler alloy, highlighting its metallic and magnetic nature suitable for spintronics.

Contribution

First detailed DFT-based analysis of Co2FeGe's properties, establishing its potential for spintronics applications.

Findings

Co2FeGe is magnetic

The material exhibits metallic behavior

Magnetism mainly from Co and Fe atoms

Abstract

In this work we reported the structural and electronic properties of the Heusler compound Co2FeGe using the AKAI-KKR code under the GGA approximation. We established that this material presents not only magnetic character but also has a metallic behavior. Our calculations have been conducted using the DFT method in the framework of the AKAI-KKR code. This study enabled us to define certain characteristics and initial parameters for creating a model of the system. The method used allowed us to apply fundamental concepts to the studied system in the form of modeling. The main results, of the studied Heusler compound Co2FeGe are: i) this material is magnetic; ii) The band structure of the material predicts a metallic character; iii) the origin of magnetism comes mainly from the transition metals Co and Fe atoms. These results, assure that the studied quaternary Heusler Co2FeGe stands for a strong candidate for different spintronics applications.