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

Identifieur interne : 000256 ( PascalFrancis/Curation ); précédent : 000255; suivant : 000257

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]

Source :

RBID : Pascal:12-0444086

Descripteurs français

English descriptors

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.
pA  
A01 01  1    @0 1557-1939
A03   1    @0 J. supercond. nov. magn.
A05       @2 25
A06       @2 7
A08 01  1  ENG  @1 Explanation of Co Magnetic Moment Enhancement in (Co,Cu)-Doped ZnO by First-Principle Calculations
A11 01  1    @1 EL AMIRI (A.)
A11 02  1    @1 ABID (M.)
A11 03  1    @1 LASSRI (H.)
A11 04  1    @1 HLIL (E. K.)
A14 01      @1 Laboratoire de Physique Fondamentale et Appliquée (LPFA), Faculte des Sciences Ain Chock, Universite Hassan II, B.P. 5366 @2 Mâarif, Casablanca @3 MAR @Z 1 aut. @Z 2 aut.
A14 02      @1 Laboratoire de Physique des Materiaux, Micro-electronique, Automatique et Thermique (LPMMAT), Faculté des Sciences Ain Chock, Universite Hassan II, B.P @2 5366 Maarif, Casablanca @3 MAR @Z 3 aut.
A14 03      @1 Institut Néel, CNRS, Universite J. Fourier, B.P. 166 @2 38042 Grenoble @3 FRA @Z 4 aut.
A20       @1 2529-2532
A21       @1 2012
A23 01      @0 ENG
A43 01      @1 INIST @2 21987 @5 354000506807770660
A44       @0 0000 @1 © 2012 INIST-CNRS. All rights reserved.
A45       @0 26 ref.
A47 01  1    @0 12-0444086
A60       @1 P
A61       @0 A
A64 01  1    @0 Journal of superconductivity and novel magnetism
A66 01      @0 USA
C01 01    ENG  @0 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.
C02 01  3    @0 001B70A15
C02 02  3    @0 001B70E50P
C03 01  3  FRE  @0 Moment magnétique @5 01
C03 01  3  ENG  @0 Magnetic moments @5 01
C03 02  X  FRE  @0 Codopage @5 02
C03 02  X  ENG  @0 Codoping @5 02
C03 02  X  SPA  @0 Codrogado @5 02
C03 03  3  FRE  @0 Addition cuivre @5 03
C03 03  3  ENG  @0 Copper additions @5 03
C03 04  X  FRE  @0 Oxyde de zinc @5 04
C03 04  X  ENG  @0 Zinc oxide @5 04
C03 04  X  SPA  @0 Zinc óxido @5 04
C03 05  3  FRE  @0 Méthode fonctionnelle densité @5 05
C03 05  3  ENG  @0 Density functional method @5 05
C03 06  3  FRE  @0 Calcul ab initio @5 06
C03 06  3  ENG  @0 Ab initio calculations @5 06
C03 07  3  FRE  @0 Addition cobalt @5 07
C03 07  3  ENG  @0 Cobalt additions @5 07
C03 08  3  FRE  @0 Structure électronique @5 08
C03 08  3  ENG  @0 Electronic structure @5 08
C03 09  3  FRE  @0 Calcul KKR @5 09
C03 09  3  ENG  @0 KKR calculations @5 09
C03 10  3  FRE  @0 Calcul CPA @5 10
C03 10  3  ENG  @0 CPA calculations @5 10
C03 11  3  FRE  @0 Densité état électron @5 11
C03 11  3  ENG  @0 Electronic density of states @5 11
C03 12  3  FRE  @0 Semiconducteur semimagnétique @5 12
C03 12  3  ENG  @0 Semimagnetic semiconductors @5 12
C03 13  3  FRE  @0 Composé minéral @5 13
C03 13  3  ENG  @0 Inorganic compounds @5 13
C03 14  3  FRE  @0 Composé de métal de transition @5 14
C03 14  3  ENG  @0 Transition element compounds @5 14
C03 15  3  FRE  @0 Semiconducteur II-VI @5 15
C03 15  3  ENG  @0 II-VI semiconductors @5 15
C03 16  3  FRE  @0 ZnO @4 INC @5 76
N21       @1 345

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<div type="abstract" xml:lang="en">By ab-initio calculations on Zn
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Co
<sub>0.05</sub>
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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<s0>By ab-initio calculations on Zn
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Co
<sub>0.05</sub>
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.</s0>
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