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Explanation of Co Magnetic Moment Enhancement in (Co,Cu)-Doped ZnO by First-Principle Calculations

Identifieur interne : 000035 ( Maroc/Analysis ); précédent : 000034; suivant : 000036

Explanation 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]

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RBID : Pascal:12-0444086

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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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Pascal:12-0444086

Le document en format XML

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<term>Ab initio calculations</term>
<term>CPA calculations</term>
<term>Cobalt additions</term>
<term>Codoping</term>
<term>Copper additions</term>
<term>Density functional method</term>
<term>Electronic density of states</term>
<term>Electronic structure</term>
<term>II-VI semiconductors</term>
<term>Inorganic compounds</term>
<term>KKR calculations</term>
<term>Magnetic moments</term>
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<term>Transition element compounds</term>
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<term>Moment magnétique</term>
<term>Codopage</term>
<term>Addition cuivre</term>
<term>Oxyde de zinc</term>
<term>Méthode fonctionnelle densité</term>
<term>Calcul ab initio</term>
<term>Addition cobalt</term>
<term>Structure électronique</term>
<term>Calcul KKR</term>
<term>Calcul CPA</term>
<term>Densité état électron</term>
<term>Semiconducteur semimagnétique</term>
<term>Composé minéral</term>
<term>Composé de métal de transition</term>
<term>Semiconducteur II-VI</term>
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<div type="abstract" xml:lang="en">By ab-initio calculations on Zn
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Co
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Cu
<sub>x</sub>
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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