Rare earth based Mg-chalcogenides MgDy2 (S/Se) 4 as an emerging aspirant for spintronic and thermoelectric applications

G Nazir, AS Alofi, A Rehman, Q Mahmood… - Materials Science in …, 2024 - Elsevier
The magnesium based spinel chalcogenides are outstanding materials for spintronic
technology and energy applications. Herein, the modified Becke Johnson potential (TB …

The electronic, half-metallic, and magnetic properties of Ca1-xCrxS ternary alloys: insights from the first-principle calculations

MM Obeid, HR Jappor, SJ Edrees, MM Shukur… - Journal of Molecular …, 2019 - Elsevier
The electronic, structural, and magnetic characteristics of Cr atom substituting Ca atom in
rocksalt CaS have been investigated within the formalism of (GGA+ PBE) and PBE with …

Insight into thermodynamic, optoelectronic, and magnetic characteristics of V doped BeSe

H Ambreen, S Saleem, SA Aldaghfag, S Noreen… - Physica B: Condensed …, 2023 - Elsevier
In present work, the magnetic and optoelectronic features of Be 1-x V x Se (x= 6.25%,
12.5%, 18.75%, 25%) alloys are explored utilizing full potential linearized augmented plane …

First-principle investigation of half-metallic ferromagnetism in octahedrally bonded Cr-doped rock-salt SrS, SrSe, and SrTe

B Doumi, A Mokaddem, L Temimi, N Beldjoudi… - The European Physical …, 2015 - Springer
We have investigated the electronic structure and half-metallic ferromagnetism of Sr 1− x Cr
x Z (Z= S, Se, and Te) in rock-salt structure at concentrations x (x= 0.125, 0.25, 0.5, 0.75 and …

First principle investigation of structural, electronic and magnetic properties of cubic Cd0. 9375TM0. 0625S (TM= Ni, Co and Fe)

H Yahi, A Meddour - Journal of Magnetism and Magnetic Materials, 2017 - Elsevier
In this study, we investigated the structural, electronic and magnetic properties of Cd 0.9375
TM 0.0625 S (TM= Ni, Co and Fe) compounds in zinc blende (B3) ferromagnetic phase …

A novel theoretical design of electronic structure and half-metallic ferromagnetism in the 3d (V)-doped rock-salts SrS, SrSe, and SrTe for spintronics

B Doumi, A Mokaddem, F Dahmane, A Sayede… - RSC …, 2015 - pubs.rsc.org
The exploration of new dilute magnetic semiconductors (DMSs) designed for the
development of practical semiconductor spintronics devices has attracted increasing interest …

Thermal conductivity of magnesium selenide (MgSe)–A first principles study

R Muthaiah, J Garg - Computational Materials Science, 2021 - Elsevier
Wide bandgap semiconductor has recently attracted attraction for power electronics,
thermoelectric and high temperature applications. Magnesium Selenide (MgSe) is a wide …

Control of spin on ferromagnetism and thermoelectric properties of Sr (V/Cr) 2S4; emergent spintronic aspirant

G Nazir, Q Mahmood, T Zelai, A Rehman… - Physica …, 2024 - iopscience.iop.org
Strontium-based spinel chalcogenides are promising materials for energy harvesting and
spintronics. Therefore, the electronic, ferromagnetic, and thermoelectric properties of SrZ 2 S …

Structural, electronic and magnetic properties of Cd1–xTMxS (TM= Co and V) by ab-initio calculations

H Yahi, A Meddour - Journal of Magnetism and Magnetic Materials, 2016 - Elsevier
The structural, electronic and ferromagnetic properties of Cd 1− x TM x S (TM= Co and V)
compounds at x= 0.25, 0.50 and 0.75 in zinc blende (B3) phase, have been investigated …

First principles study of structural, electronic, magnetic and elastic properties of Mg0. 75TM0. 25S (TM= Mn, Fe, Co, Ni)

MH Gous, A Meddour, C Bourouis - Journal of Magnetism and Magnetic …, 2017 - Elsevier
The objective of this work is to predict the structural, electronic, magnetic and elastic
properties of Mg 1− x TM x S (TM= Mn, Fe, Co and Ni) compound in the zinc blende …