Explanation of Co Magnetic Moment Enhancement in (Co,Cu)-Doped ZnO by First-Principle Calculations
Identifieur interne : 000256 ( PascalFrancis/Curation ); précédent : 000255; suivant : 000257Explanation of Co Magnetic Moment Enhancement in (Co,Cu)-Doped ZnO by First-Principle Calculations
Auteurs : A. El Amiri [Maroc] ; M. Abid [Maroc] ; H. Lassri [Maroc] ; E. K. Hlil [France]Source :
- Journal of superconductivity and novel magnetism [ 1557-1939 ] ; 2012.
Descripteurs français
- Pascal (Inist)
- Moment magnétique, Codopage, Addition cuivre, Oxyde de zinc, Méthode fonctionnelle densité, Calcul ab initio, Addition cobalt, Structure électronique, Calcul KKR, Calcul CPA, Densité état électron, Semiconducteur semimagnétique, Composé minéral, Composé de métal de transition, Semiconducteur II-VI, ZnO.
- Wicri :
- topic : Composé minéral.
English descriptors
- KwdEn :
- Ab initio calculations, CPA calculations, Cobalt additions, Codoping, Copper additions, Density functional method, Electronic density of states, Electronic structure, II-VI semiconductors, Inorganic compounds, KKR calculations, Magnetic moments, Semimagnetic semiconductors, Transition element compounds, Zinc oxide.
Abstract
By ab-initio calculations on Zn0.95-xCo0.05CuxO, we study the variations of magnetic moments versus Cu concentration. The electronic structure is calculated by using the Korringa-Kohn-Rostoker (KKR) method combined with coherent potential approximation (CPA). We show that the total magnetic moment and magnetic moment of Co increase with increasing Cu content. From a density of state (DOS) analysis, we propose an explanation of the enhancement of the Co magnetic moment versus Cu concentration.
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<front><div type="abstract" xml:lang="en">By ab-initio calculations on Zn<sub>0.95-x</sub>
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O, we study the variations of magnetic moments versus Cu concentration. The electronic structure is calculated by using the Korringa-Kohn-Rostoker (KKR) method combined with coherent potential approximation (CPA). We show that the total magnetic moment and magnetic moment of Co increase with increasing Cu content. From a density of state (DOS) analysis, we propose an explanation of the enhancement of the Co magnetic moment versus Cu concentration.</div>
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