Accès ouvert

First principles calculations of the structural, electronic, magnetic, and thermodynamic properties of the Nd2MgGe2 and Gd2MgGe2 intermetallic compounds

Article scientifique 2021 Anglais

Résumé

Abstract In recent years the intermetallic ternary RE2MgGe2(RE = rare earth) compounds attract interest in a variety of technological areas. We therefore investigate in the present work the structural, electronic, magnetic, and thermodynamic properties of Nd2MgGe2and Gd2MgGe2. Spin–orbit coupling is found to play an essential role in realizing the antiferromagnetic ground state observed in experiments. Both materials show metallicity and application of a Debye-Slater model demonstrates low thermal conductivity and little effects of the RE atom on the thermodynamic behavior.

Citer ce document

Menouer, S., Abid, O., Benzair, A., Yakoubi, A., Khachai, H., Schwingenschlögl, U. (2021). First principles calculations of the structural, electronic, magnetic, and thermodynamic properties of the Nd2MgGe2 and Gd2MgGe2 intermetallic compounds. https://doi.org/10.1038/s41598-021-89042-5

Accès au document

Voir sur le dépôt source

Ce document est hébergé sur son dépôt institutionnel d'origine.

Auteur(s)

S. Menouer O. Miloud Abid Abdelnour Benzair A. Yakoubi H. Khachai Udo Schwingenschlögl

Statistiques

Consultations : 1

Téléchargements : 0