Investigation of the structural, elastic, electronic, and optical properties of half-heusler CaMgZ (Z= C, Si, Ge, Sn, Pb) compounds
The structural, elastic, electronic, and optical properties of half-Heusler CaMgZ (Z= C, Si, Ge,
Sn, Pb) compounds are investigated herein. Density functional theory based on the full …
Sn, Pb) compounds are investigated herein. Density functional theory based on the full …
Structural, mechanical, magnetic, electronic, and thermal investigations of Ag2YB (Y = Nd, Sm, Gd) full-Heusler alloys
B Asma, F Belkharroubi, A Ibrahim, B Lamia… - Emergent …, 2021 - Springer
A series of full-Heusler based on rare earth Ag2YB (Y= Nd, Sm, Gd) are studied by
linearized augmented plane waves with total potential (FP-LAPW) method. We have …
linearized augmented plane waves with total potential (FP-LAPW) method. We have …
Investigation of structural, elastic, electronic, and magnetic proprieties for X2LuSb (X = Mn and Ir) full-Heusler alloys
L Samia, F Belkharroubi, A Ibrahim, BF Lamia… - Emergent …, 2022 - Springer
A study on the structural, elastic, electronic, and magnetic properties of full-Heusler X2LuSb
(X= Mn and Ir) compounds by using the first principle calculations within generalized …
(X= Mn and Ir) compounds by using the first principle calculations within generalized …
Electronic and magnetic investigation of half-metallic ferrimagnetic full-Heusler Mn2IrGe
In this study, we are interested in the calculations of physicochemical properties of a new full-
Heusler Mn2IrGe alloy. The calculations are performed by the full-potential linearized …
Heusler Mn2IrGe alloy. The calculations are performed by the full-potential linearized …
Effect of 5d state-based full-Heusler alloys on the structural, electronic and magnetic properties of new half metallic ferromagnetism
B Nour-eddine, F Belkharroubi, I Ameri… - Materials Today …, 2022 - Elsevier
First-principles calculations of structural, elastic, electronic and magnetic properties of full-
Heusler Ir 2 HfB, Ir 2 HfAl and Ir 2 HfGa have been realized by full-potential linearized …
Heusler Ir 2 HfB, Ir 2 HfAl and Ir 2 HfGa have been realized by full-potential linearized …
First-Principles Analysis of CuMg2InS4: Insights into Optical, Piezoelectric, and Thermoelectric Properties
O Sadouki, F Khelfaoui, F Fontaine-Vive… - Journal of Electronic …, 2023 - Springer
This study presents a comprehensive investigation of the properties of the compound
CuMg2InS4 chalcogenide using density functional theory (DFT) simulation. The full potential …
CuMg2InS4 chalcogenide using density functional theory (DFT) simulation. The full potential …
An alternative material obtained for spintronic applications using first-principles approximations: TiV2Se4 spinel
YG Kartal, WAA Ahmed, EG Özdemir, S Doğruer… - Theoretical Chemistry …, 2025 - Springer
The ferromagnetic phase of TiV2Se4 spinel is the most stable. Here, the equilibrium lattice
constant is obtained as 10.79 Å. According to the calculated formation and cohesive …
constant is obtained as 10.79 Å. According to the calculated formation and cohesive …
First-principles calculations to investigate electronic, magnetic and half-metallic ferromagnetic properties of full-Heusler Mn2OsSn
The structural, electrical, magnetic, and elastic characteristics of the Mn2OsSn full-Heusler
compound have all been studied using the full potential linearised augmented plane (FP …
compound have all been studied using the full potential linearised augmented plane (FP …
The Structural, Electronic, Magnetic, Mechanical, and Lattice Dynamical Properties of the Novel Full-Heusler Alloys Mn2HfX (X = Si and Ge): Ab Initio Study
Through first-principles investigation, two new Mn2-based full-Heusler alloys, Mn2HfSi and
Mn2HfGe, have been studied using the full-potential linearized augmented plane wave (FP …
Mn2HfGe, have been studied using the full-potential linearized augmented plane wave (FP …
Structural, Elastic, Electronic, and Magnetic Properties of Nd‐Doped NaScGe Half‐Heusler Compound by Ab‐Initio Method
A comprehensive investigation is conducted on the electronic structure and magnetic
properties of half‐Heusler NaScGe, which is doped with a rare earth element Nd with …
properties of half‐Heusler NaScGe, which is doped with a rare earth element Nd with …