HAMIDANE OUAFA
- hamidane.ouafa@univ-guelma.dz
- ouafa_hamidane@yahoo.com
- hamidane12.wafa@gmail.com
Thesis title
Thesis title (Ar)
Thesis title (Fr)
keywords
keywords (Ar)
keywords (Fr)
Abstract
In this work, the structural, electronic and magnetic properties of diluted magnetic semiconductors Ca1-xCrxS and Ca1-xVxS at x = 0.25, 0.50 and 0.75, in rock-salt (B1) phase, have been investigated using the full-potential linearized augmented plane-wave method with local orbitals (FP-LAPW+lo) calculations within the framework of the density functional theory (DFT) and the generalized gradient approximation (GGA). The electronic properties of Ca1-xCrxS (x = 0.25 and 0.50) and Ca1-xCrxS (x = 0.25, 0.50 and 0.75) compounds exhibit half-metallic behavior, while Ca0.25V0.75S compound is
nearly half-metallic. The calculated magnetic moment per substituted Cr/V atom for half-metallic compounds is found to be 4 µβ, 3 µβ respectively , whereas that of a nearly half-metallic compound is 2.97 µβ. The analysis of band structure and density of states (DOS) shows that the Cr/V-3d states play a key role in generating magnetic moment in these compounds. Furthermore, we establish that the p–d hybridization reduces the local magnetic moment of Cr and enhances that of V from their free space charge value of 4 and 3 µβ and creates small local magnetic moments on non-magnetic Ca and S sites. The exchange constants N0α and N0β have been calculated to validate the effects resulting from exchange splitting process
Abstract (Ar)
Abstract:
In this work, the structural, electronic and magnetic properties of diluted magnetic semiconductors Ca1-xCrxS and Ca1-xVxS at x = 0.25, 0.50 and 0.75, in rock-salt (B1) phase, have been investigated using the full-potential linearized augmented plane-wave method with local orbitals (FP-LAPW+lo) calculations within the framework of the density functional theory (DFT) and the generalized gradient approximation (GGA). The electronic properties of Ca1-xCrxS (x = 0.25 and 0.50) and Ca1-xCrxS (x = 0.25, 0.50 and 0.75) compounds exhibit half-metallic behavior, while Ca0.25V0.75S compound is
nearly half-metallic. The calculated magnetic moment per substituted Cr/V atom for half-metallic compounds is found to be 4 µβ, 3 µβ respectively , whereas that of a nearly half-metallic compound is 2.97 µβ. The analysis of band structure and density of states (DOS) shows that the Cr/V-3d states play a key role in generating magnetic moment in these compounds. Furthermore, we establish that the p–d hybridization reduces the local magnetic moment of Cr and enhances that of V from their free space charge value of 4 and 3 µβ and creates small local magnetic moments on non-magnetic Ca and S sites. The exchange constants N0α and N0β have been calculated to validate the effects resulting from exchange splitting process
Abstract (Fr)
Dans ce travail, les propriétés structurelles, électroniques et magnétiques des semi-conducteurs magnétiques dilués Ca1xCrxS et Ca1xVxS à x = 0,25, 0,50 et 0,75 ont été étudiées en phase sel de roche (B1), à l'aide d'un plan d'onde de la méthode d'augmentation linéaire avec Calculs des orbites locales (FP-LAPW + lo) selon la théorie de la densité fonctionnelle (DFT) et l'approximation de gradient généralisée (GGA). Les propriétés électroniques de Ca1-xCrxS (x = 0,25 et 0,50) et de Ca1-xCrxS (x = 0,25, 0,50 et 0,75) montrent des composés semi-métalliques, tandis que Ca0.25V0.75S est
Presque moitié métal. On trouve que le couple magnétique calculé par atome Cr / V se substitue à 3 compoundsB composés semi-métalliques, alors que le demi-composé est approximativement un demi-métal = 2,97 B L’analyse de la structure de la bande et de la densité de cas (DOS) montre que Cr / V-3D
Les États jouent un rôle clé dans la génération du moment magnétique dans ces composés. En outre, nous déterminons que l’hybridation p-d réduit le moment magnétique local de Cr et améliore la
V de la valeur de charge d'espace libre de 3 B, créant de petits moments magnétiques locaux sur des emplacements de Ca et S non magnétiques. Nous avons fait la dernière
Calcule les paramètres d'échange et valide les effets de l'échange de division.
Scientific publications
- Publications international in (2018) under the title: Half-Metallic Ferromagnetism Character in Cr-Doped CaS Diluted Magnetic Insulator and Semiconductor: an Ab Initio Study. Author : O. Hamidane ; co author :A. Meddour ; co author : Ch .Bourouis
- Publications international in (2019) under the title: First-Principle Predictions of Electronic Properties and Half-Metallic Ferromagnetism in Vanadium-Doped Rock-Salt CaS.
- Author : O. Hamidane ; co author :A. Meddour ; co author : Ch .Bourouis
Scientific conferences
Attestation séminaire national poster sur la simulation numérique dans les sciences applique SNSA I -2016- univ guelma sous titre : Electronic and Ferromagnetic Properties of 3d (V) Doped Barium Sulfide » Author : O. Hamidane; co author :A. Meddour
- Attestation séminaire nationale poster « Etude des Matériaux : Elaboration et Modélisation » MEM’2018-univ guelma sous titre ; Ab initio Investigation of Structural Stability and Electronic and Magnetic properties of Half Metallic Alloys Ca0.75 Fe0.25S. Author : O. Hamidane ; co author :A. Meddour
- Attestation international Oral workshop on magnetic materials and nanomaterialsMMN’2018)-univ boumerdes sous titre; ‘’First principle predictions of electronic properties and half metallic ferromagnetism in vanadium doped rock salt SrO’’ Author : O. Hamidane ; co author :A. Meddour
- Attestation international Poster workshop on magnetic materials and nanomaterialsMMN’2018) -univ boumerdes sous titre: spin polarized structural electronic and magnetic properties of 3d (Cr) Doped SrS .Author : O. Hamidane ; co author :A. Meddour
- Attestation international author conference on nanomaterials and renewable energy ICNRE 2018-univ skikda sous titre; A Novel theoretical design of electronic structure and half metallic ferromagnetism in the field of spintronics and nanotechnology Author : O. Hamidane ; co author :A. Meddour ; co author: Z ABDELLI
- Attestation international co-author conference on nanomaterials and renewable energy ICNRE 2018-univ skikda sous titre: Theoretical investigation of electronic structure and magnetic properties of 3d (V) doped ZnS using mBJ approximation Author : Z ABDELLI; co author :A. Meddour ; co author: O. Hamidane