Electronic and Ferromagnetic Properties ...
Document type :
Article dans une revue scientifique
Permalink :
Title :
Electronic and Ferromagnetic Properties of 3d(V)-Doped (BaS) Barium Sulfide
Author(s) :
Addadi, Zoubida [Auteur]
Doumi, Bendouma [Auteur]
Mokaddem, Allel [Auteur]
Elkeurti, Mohammed [Auteur]
Sayede, Adlane [Auteur]
Unité de Catalyse et Chimie du Solide - UMR 8181 [UCCS]
Tadjer, Abdelkader [Auteur]
Dahmane, Fethallah [Auteur]
Doumi, Bendouma [Auteur]
Mokaddem, Allel [Auteur]
Elkeurti, Mohammed [Auteur]
Sayede, Adlane [Auteur]
Unité de Catalyse et Chimie du Solide - UMR 8181 [UCCS]
Tadjer, Abdelkader [Auteur]
Dahmane, Fethallah [Auteur]
Journal title :
Journal of Superconductivity and Novel Magnetism
Volume number :
30
Pages :
917-923
Publication date :
2016-11-07
HAL domain(s) :
Chimie/Chimie inorganique
English abstract : [en]
The objective of this study is to investigate the electronic structure and ferromagnetic properties of barium sulfide (BaS) doped with vanadium (V) impurity. The calculations were performed by using the first-principle ...
Show more >The objective of this study is to investigate the electronic structure and ferromagnetic properties of barium sulfide (BaS) doped with vanadium (V) impurity. The calculations were performed by using the first-principle calculations of density functional theory. The lattice constant of Ba1−x V x S decreases with increasing concentration (x) of the V atom. We have found that the Ba0.75 V 0.25S and Ba0.5 V 0.5S compounds are half-metallic ferromagnets with total magnetic moments of 3 μ B per V atom, while for high concentration x = 0.75, the Ba0.25 V 0.75S becomes nearly half metallic due to broadening of 3d (V) states in the gap. The exchange coupling between the 3d (V) levels and conduction bands is ferromagnetic, confirming the magnetic nature of Ba1−x V x S compounds.Show less >
Show more >The objective of this study is to investigate the electronic structure and ferromagnetic properties of barium sulfide (BaS) doped with vanadium (V) impurity. The calculations were performed by using the first-principle calculations of density functional theory. The lattice constant of Ba1−x V x S decreases with increasing concentration (x) of the V atom. We have found that the Ba0.75 V 0.25S and Ba0.5 V 0.5S compounds are half-metallic ferromagnets with total magnetic moments of 3 μ B per V atom, while for high concentration x = 0.75, the Ba0.25 V 0.75S becomes nearly half metallic due to broadening of 3d (V) states in the gap. The exchange coupling between the 3d (V) levels and conduction bands is ferromagnetic, confirming the magnetic nature of Ba1−x V x S compounds.Show less >
Language :
Anglais
Audience :
Internationale
Popular science :
Non
Administrative institution(s) :
ENSCL
CNRS
Centrale Lille
Univ. Artois
Université de Lille
CNRS
Centrale Lille
Univ. Artois
Université de Lille
Collections :
Research team(s) :
Couches minces & nanomatériaux (CMNM)
Submission date :
2019-09-25T14:38:08Z