First-principles calculations to investigate magnetic and thermodynamic properties of new multifunctional full-Heusler alloy Co2TaGa

M Ayad, F Belkharroubi, FZ Boufadi, M Khorsi… - Indian Journal of …, 2020 - Springer
The structural, elastic, electronic, magnetic and thermodynamic properties of Co 2 TaGa full-
Heusler alloy are investigated using density functional theory-based full-potential linearized …

Compensated Ferrimagnetism in the Zero-Moment Heusler Alloy

ME Jamer, YJ Wang, GM Stephen, IJ McDonald… - Physical Review …, 2017 - APS
While antiferromagnets have been proposed as components to limit stray magnetic fields,
their inability to be spin polarized inhibits their use in spintronic devices. Compensated …

Computational determination of structural, electronic, magnetic and thermodynamic properties of Co2HfZ (Z= Al, Ga, Si and Sn) full Heusler compounds for spintronic …

HS Cherif, A Bentouaf, ZA Bouyakoub… - Journal of Alloys and …, 2022 - Elsevier
The aim of this paper is the prediction of the structural, electro-magnetic and mechanical
properties of the Co 2 HfZ (Z= Al, Ga, Si and Sn) full Heusler compounds using a full …

Half-metallic ferromagnets, spin gapless semiconductors, and topological semimetals based on Heusler alloys: Theory and experiment

VV Marchenkov, VY Irkhin - Physics of Metals and Metallography, 2021 - Springer
The paper presents a review of theoretical and experimental studies of the electronic
structure and electronic and magnetic properties of various systems of Heusler alloys in the …

Structural, electronic and magnetic properties of Fe2-based full Heusler alloys: A first principle study

F Dahmane, Y Mogulkoc, B Doumi, A Tadjer… - Journal of Magnetism …, 2016 - Elsevier
Using the first-principles density functional calculations, the structural, electronic and
magnetic properties of the Fe 2 XAl (X= Cr, Mn, Ni) compounds in both the Hg 2 CuTi and …

Structural, Elastic, Electronic, Magnetic, and Thermoelectric Characteristics of MgEu2X4 (X = S, Se) Spinel Compounds: Ab‐Initio Calculations

AA Mousa, SM Al Azar, SS Essaoud… - … status solidi (b), 2022 - Wiley Online Library
The structural, elastic, electronic, magnetic, and thermoelectric properties of MgEu2X4 (X= S
and Se) spinel compounds are investigated computationally. Calculations are performed …

First-principles calculations of electronic, magnetic, mechanical and thermoelectric properties of tetragonal Mn2PtSn-Ferromagnetic phase: Ab initio calculations

Y El Krimi, R Masrour - Modern Physics Letters B, 2024 - World Scientific
We present structural, electronic, magnetic, elastic and transport properties of tetragonal
Mn2PtSn (MPS) bulk material in stannite (ST) phase, we will use a FP-LAPW method based …

First-principles study of the electronic and magnetic properties of Fe2MnAl, Fe2MnSi and Fe2MnSi0. 5Al0. 5

M Belkhouane, S Amari, A Yakoubi, A Tadjer… - Journal of Magnetism …, 2015 - Elsevier
In this work, first-principles calculations of the structural, electronic and magnetic properties
of Heusler compounds Fe 2 MnAl, Fe 2 MnSi and alloy Fe 2 MnSi 0.5 Al 0.5 are presented …

Structural, electronic and magnetic properties of new full Heusler alloys Rh2CrZ (Z= Al, Ga, In): First-principles calculations

L Boumia, F Dahmane, B Doumi, DP Rai… - Chinese Journal of …, 2019 - Elsevier
First-principles calculations based on the density functional theory (DFT) within full-potential
linearized augmented plane wave method (FP-LAPW) were carried out to investigate the …

DFT+ U investigations and Monte Carlo simulations on the structural, mechanical, electronic and magnetic properties of the half-heusler alloy CoMnSe for spintronics …

Y Toual, S Mouchou, A Azouaoui… - Physica B: Condensed …, 2023 - Elsevier
We report the structural stability and half-metallicity of the half-Heusler alloy CoMnSe via the
density functional theory (DFT). The γ-phase ferromagnetic of CoMnSe is more energetically …