ABDELLI ZEYNEB
- abdelli.zeyneb@univ-guelma.dz
- zineb.abdelli.physique@gmail.com
Thesis title
Thesis title (Ar)
Thesis title (Fr)
keywords
keywords (Ar)
keywords (Fr)
Abstract
In this work, we studied the properties of vanadium doped binary MgS compound Mg1xVxS (x = 0.125, 0.25, 0.50 and 0.75) in both ferromagnetic rocksalt and zinc-blende structures. The studied properties are structural, electronic and magnetic. The objective of this study is to explore the new dilute magnetic semiconductor systems. We have used two approximations to simulate these properties: Wu–Cohen generalized gradient approximation for structural properties, and the modified Becke–Johnson potential combined with the local density approximation for electronic and magnetic properties.
The general context in which the calculations are done is based on the formalism of the spin-polarized density functional theory and the full-potential linear-augmented plane wave method. Among the various compounds studied, we have identified a ferromagnetic semiconducting behavior in the rock-salt structure. In the zinc-blende structure, we have one metallic candidate consisting of 75% V-doping of the Mg-sublattice, and all other compounds have a half-metallic ferromagnetic behavior. We conclude that the Mg1xVxS compounds, for x = 0.125, 0.25 and 0.50, in the zinc-blende structure are a diluted magnetic semi-conductors materials. To see the effects of the exchange splitting process, the exchange constants N0a and N0b are calculated. For each concentration x, we have found the values of the total magnetic moment equal to 3 lb excepted for the case of Mg0.25 V0.75S compound in the zinc-blende. The value of the total magnetic moment is due principally to V
magnetic atom and to other both nonmagnetic atoms Mg and S, which show small local magnetic moments localized on their sites. The presence of ferromagnetic
order in this type of compound can be explained by the p-d hybridization phenomena.
Abstract (Ar)
In this work, we studied the properties of vanadium doped binary MgS compound Mg1xVxS (x = 0.125, 0.25, 0.50 and 0.75) in both ferromagnetic rocksalt and zinc-blende structures. The studied properties are structural, electronic and magnetic. The objective of this study is to explore the new dilute magnetic semiconductor systems. We have used two approximations to simulate these properties: Wu–Cohen generalized gradient approximation for structural properties, and the modified Becke–Johnson potential combined with the local density approximation for electronic and magnetic properties.
The general context in which the calculations are done is based on the formalism of the spin-polarized density functional theory and the full-potential linear-augmented plane wave method. Among the various compounds studied, we have identified a ferromagnetic semiconducting behavior in the rock-salt structure. In the zinc-blende structure, we have one metallic candidate consisting of 75% V-doping of the Mg-sublattice, and all other compounds have a half-metallic ferromagnetic behavior. We conclude that the Mg1xVxS compounds, for x = 0.125, 0.25 and 0.50, in the zinc-blende structure are a diluted magnetic semi-conductors materials. To see the effects of the exchange splitting process, the exchange constants N0a and N0b are calculated. For each concentration x, we have found the values of the total magnetic moment equal to 3 lb excepted for the case of Mg0.25 V0.75S compound in the zinc-blende. The value of the total magnetic moment is due principally to V magnetic atom and to other both nonmagnetic atoms Mg and S, which show small local magnetic moments localized on their sites. The presence of ferromagnetic
order in this type of compound can be explained by the p-d hybridization phenomena.
Abstract (Fr)
In this work, we studied the properties of vanadium doped binary MgS compound Mg1xVxS (x = 0.125, 0.25, 0.50 and 0.75) in both ferromagnetic rocksalt and zinc-blende structures. The studied properties are structural, electronic and magnetic. The objective of this study is to explore the new dilute magnetic semiconductor systems. We have used two approximations to simulate these properties: Wu–Cohen generalized gradient approximation for structural properties, and the modified Becke–Johnson potential combined with the local density approximation for electronic and magnetic properties.
The general context in which the calculations are done is based on the formalism of the spin-polarized density functional theory and the full-potential linear-augmented plane wave method. Among the various compounds studied, we have identified a ferromagnetic semiconducting behavior in the rock-salt structure. In the zinc-blende structure, we have one metallic candidate consisting of 75% V-doping of the Mg-sublattice, and all other compounds have a half-metallic ferromagnetic behavior. We conclude that the Mg1xVxS compounds, for x = 0.125, 0.25 and 0.50, in the zinc-blende structure are a diluted magnetic semi-conductors materials. To see the effects of the exchange splitting process, the exchange constants N0a and N0b are calculated. For each concentration x, we have found the values of the total magnetic moment equal to 3 lb excepted for the case of Mg0.25 V0.75S compound in the zinc-blende. The value of the total magnetic moment is due principally to V magnetic atom and to other both nonmagnetic atoms Mg and S, which show small local magnetic moments localized on their sites. The presence of ferromagnetic
order in this type of compound can be explained by the p-d hybridization phenomena.
Scientific publications
Scientific publications: Theoretical Investigation of the Electronic Structure and Magnetic Properties in Ferromagnetic Rock-Salt and Zinc Blende Structures of 3d (V)-Doped MgS. Journal of Electronic Materials 2019
Scientific conferences
Scientific conferences:
15 décembre 2016 Communication affichée dans «Séminaire National sur la Simulation Numérique dans les Sciences Appliquées, SNSA I-2016 », 15 décembre Université 8 MAI 1945 de Guelma.
Le thème est « Demi métallicité et magnétisme de GeTe dopé par les métaux de transition Mn et Fe »,
2-3 décembre 2017 Communication affichée dans « International Workshop on Chemical Enegineering (IWCE 2017) » 2nd and 3rd Décembre Université Farhat ABBAS-1 Sétif.
Le thème est « Calcul des propriétés structurales, électroniques et magnétique des semi-conducteurs magnétique dilues Ge1-xTMxTe (TM= Mn, Fe) »
1-4 octobre 2018 Communication orale dans « 2nd International Workshop on Magnetic Materials and Nanomatrials – MMN’2018 01-04 October 2018 » university M’Hamed Bougara of Boumerdes.
Le thème est « ab-inition electronic structure calculations of half- metallic ferromagnetism in diluted magnetic semiconductors based GeTe »
1-4 octobre 2018 Deux Communication affichée dans « 2nd International Workshop on Magnetic Materials and Nanomatrials – MMN’2018 01-04 October 2018 » university M’Hamed Bougara of Boumerdes.
Les thèmes sont
« A Novel theoretical design of electronic structure and half metallic ferromagnetism in the 3d (V)- doped zinc blende ZnS for spintronics using Mbj aproximation»
« Study of electronic, mechanical, magnetic, and optical properties of Mg0.75TM0.25S/Se (TM= Fe, Co, Ni): A first principle approach »
15-17 October 2018 Deux communication affichée dans « International Conference on Nanomaterials and Renewable Energies » University 20 Aout 1955 Skikda.
Les thèmes sont
« Theoretical investigation of electronic structure and magnetic properties of 3d (V) doped ZnS for spintronics using Mbj approximation»
« A Novel theoretical design of electronic structure and half-metallic ferromagnetism in the field of spintronics and nanotechnology»
13 Décembre 2018 Communication affichée dans « Journée Nationale: Etude des Matériaux : Elaboration et Modélisation », Université 8 MAI 1945 Guelma.
Le thème est « Ab initio electronic structure calculations of half-metallic ferromagnetism in diluted magnetic semiconductors based ZnS»