Influence of 3d-Fe substitution on structural, mechanical, electronic, and magnetic properties in rock-salt SrS: Insights from the first-principles study

Autor: Elaggoune, Warda, Meddour, Athmane, Bourouis, Chahrazed, Gous, Mohammed Hadi, Bordjiba, Zeyneb

Publikováno v: In Solid State Communications 15 February 2023 361

Study of Structural, Elastic, Thermal and Transport Properties of Ternary X(X=Co, Rh and Ir)MnAs Obtained by DFT

Autor: Salim Kadri, Tourab Mohamed, Berkani Mahièddine, Amraoui Rabie, Bordjiba Zeyneb

Publikováno v: East European Journal of Physics, Iss 1 (2022)

The Density Functional Theory (DFT) with an approximation of generalised gradient is used for the study of elastic, thermodynamic and transport properties and for that of structural stability of ternary Half-Heuslers compounds X(X=Co, Rh and Ir)MnAs.

Externí odkaz: https://doaj.org/article/3f62bfa20afe4f4db848afa02f26b72f

Tento výsledek nelze pro nepřihlášené uživatele zobrazit.
K zobrazení výsledku je třeba se přihlásit.

A First-Principle Study Investigating the Half-Metallic and Mechanical Properties of Double Halide Perovskites Rb 2 OsX 6 (X = cl, Br, and I) for Spintronic Applications.

Autor: Boubchir M; Research Center in Industrial Technologies CRTI, Algiers, Algeria.; Laboratoire de Modélisation et de Simulation en Sciences Des Matériaux, Sidi Bel Abbès, Algeria., Bordjiba Z; Laboratoire de Physique Des Matériaux (L2PM), Guelma, Algeria., Amraoui R; Laboratoire de Physique Des Matériaux (L2PM), Guelma, Algeria., Boubchir R; Research Center in Industrial Technologies CRTI, Algiers, Algeria., Aourag H; Research Center in Industrial Technologies CRTI, Algiers, Algeria.

Publikováno v: Journal of computational chemistry [J Comput Chem] 2025 Jan 05; Vol. 46 (1), pp. e27537.