First-Principle Predictions of Electronic ...
Type de document :
Article dans une revue scientifique
URL permanente :
Titre :
First-Principle Predictions of Electronic Properties and Half-Metallic Ferromagnetism in Vanadium-Doped
Rock-Salt SrO
Auteur(s) :
Berber, Mohamed [Auteur]
Doumi, Bendouma [Auteur]
Mokaddem, Allel [Auteur]
Mogulkoc, Yesim [Auteur]
Sayede, Adlane [Auteur]
Unité de Catalyse et Chimie du Solide - UMR 8181 [UCCS]
Tadjer, Abdelkader [Auteur]
Doumi, Bendouma [Auteur]
Mokaddem, Allel [Auteur]
Mogulkoc, Yesim [Auteur]
Sayede, Adlane [Auteur]
Unité de Catalyse et Chimie du Solide - UMR 8181 [UCCS]
Tadjer, Abdelkader [Auteur]
Titre de la revue :
Journal of Electronic Materials
Numéro :
47
Pagination :
449-456
Date de publication :
2017-09-19
Discipline(s) HAL :
Chimie/Chimie inorganique
Résumé en anglais : [en]
We have used first-principle methods of density functional theory within the full potential linearized augmented plane wave scheme to investigate the electronic and magnetic properties of cubic rock-salt, SrO, doped with ...
Lire la suite >We have used first-principle methods of density functional theory within the full potential linearized augmented plane wave scheme to investigate the electronic and magnetic properties of cubic rock-salt, SrO, doped with vanadium (V) impurity as Sr1−x V x O at various concentrations, x = 0.25, 0.5, and 0.75. We have found that the ferromagnetic state arrangement of Sr1−x V x O is more stable compared to the anti-ferromagnetic state configuration. The electronic structures have a half-metallic (HM) ferromagnetic (F) behavior for Sr0.75V0.25O and Sr0.5V0.5O. This feature results from the metallic and semiconducting natures of majority-spin and minority-spin bands, respectively. The HMF gap decreases with the increasing concentration of vanadium atoms due to the broadening of 3d (V) levels in the gap, and hence the Sr0.25V0.75O becomes metallic ferromagnetic. The Sr0.75V0.25O revealed a large HM gap with spin polarization of 100%. The Sr1−x V x O compound at low concentrations seems a better candidate to explore the half-metallicity for practical spintronics applications.Lire moins >
Lire la suite >We have used first-principle methods of density functional theory within the full potential linearized augmented plane wave scheme to investigate the electronic and magnetic properties of cubic rock-salt, SrO, doped with vanadium (V) impurity as Sr1−x V x O at various concentrations, x = 0.25, 0.5, and 0.75. We have found that the ferromagnetic state arrangement of Sr1−x V x O is more stable compared to the anti-ferromagnetic state configuration. The electronic structures have a half-metallic (HM) ferromagnetic (F) behavior for Sr0.75V0.25O and Sr0.5V0.5O. This feature results from the metallic and semiconducting natures of majority-spin and minority-spin bands, respectively. The HMF gap decreases with the increasing concentration of vanadium atoms due to the broadening of 3d (V) levels in the gap, and hence the Sr0.25V0.75O becomes metallic ferromagnetic. The Sr0.75V0.25O revealed a large HM gap with spin polarization of 100%. The Sr1−x V x O compound at low concentrations seems a better candidate to explore the half-metallicity for practical spintronics applications.Lire moins >
Langue :
Anglais
Audience :
Internationale
Vulgarisation :
Non
Établissement(s) :
ENSCL
CNRS
Centrale Lille
Univ. Artois
Université de Lille
CNRS
Centrale Lille
Univ. Artois
Université de Lille
Collections :
Équipe(s) de recherche :
Couches minces & nanomatériaux (CMNM)
Date de dépôt :
2019-09-25T14:37:58Z