Preprint
Article

Electronic Correlations in Ferromagnetic Heusler Alloy ln2MnW: Insights from First-Principles Calculations

This version is not peer-reviewed.

Submitted:

08 January 2025

Posted:

09 January 2025

You are already at the latest version

Abstract

First-principles calculations are performed to examine the physical features of full Heusler ln2MnW. The WIEN2K code is utilized with the variety of approximations, including the GGA and GGA + U, to examine the structural, electronic, and magnetic properties. The unit cell is optimized to achieve the ground state energy level. The calculated ΔH for In2MnW is -0.189 eV. This negative ΔH value signifies the thermodynamic stability of the compound. The metallic behavior of the investigated compound is confirmed by the calculated band structure (BS) with both potentials. These potentials are also used to calculate the total density of the state, which confirm their metallic nature. Total magnetic moment value is recorded as 4.3 µB while addition of U parameter slightly enhances its value to 4.4 µB. These studied properties indicate that ln2MnW has a metallic ferromagnetic character and is ideally appropriate for the usage of mass storage devices as a ferromagnetic material.

Keywords: 
Subject: 
Chemistry and Materials Science  -   Metals, Alloys and Metallurgy
Copyright: This open access article is published under a Creative Commons CC BY 4.0 license, which permit the free download, distribution, and reuse, provided that the author and preprint are cited in any reuse.
Alerts
Prerpints.org logo

Preprints.org is a free preprint server supported by MDPI in Basel, Switzerland.

Subscribe

© 2025 MDPI (Basel, Switzerland) unless otherwise stated