CobaltMaghrebV1, PascalFrancis, Corpus, bibRecord, 000028

Ab initio study of ZnCoO diluted magnetic semiconductor and its magnetic properties

Identifieur interne : 000028 ( PascalFrancis/Corpus ); précédent : 000027; suivant : 000029

Ab initio study of ZnCoO diluted magnetic semiconductor and its magnetic properties

Auteurs : S. Lardjane ; G. Merad ; N. Fenineche ; A. Billard ; H. I. Faraoun

Source :

Journal of alloys and compounds [ 0925-8388 ] ; 2013.

RBID : Pascal:13-0230165

Descripteurs français

Pascal (Inist)
- Calcul ab initio, Dopage, Addition métal transition, Ferromagnétisme, Point Curie, Addition cobalt, Structure électronique, Méthode fonctionnelle densité, Approximation gradient généralisé, Modèle Hubbard, Concentration impureté, Moment magnétique, Semiconducteur semimagnétique, Semiconducteur bande interdite large, Oxyde de zinc, ZnO.

English descriptors

KwdEn :
- Ab initio calculations, Cobalt additions, Curie point, Density functional method, Doping, Electronic structure, Ferromagnetism, Generalized gradient approximation, Hubbard model, Impurity density, Magnetic moments, Semimagnetic semiconductors, Transition element additions, Wide band gap semiconductors, Zinc oxide.

Abstract

Transition metal-doped wide band gap semiconductors, such as ZnO, attract much attention due to the theoretical prediction that ZnO is a room temperature ferromagnetic semiconductor [1,2]. Very controversial experimental and theoretical papers have been published to discuss the origin of ferromagnetic ordering and the relevance of the Curie temperature (T_c) of Co-doped ZnO [3-5]. In order to get better insight, electronic structure of Co_xZn_1-xO magnetic semiconductor was investigated via first principle calculations. The generalised gradient approximations (GGA) and the GGA with Hubbard U correction (GGA + U) in the framework of density functional theory (DFT) have been used. Calculations are done for different doping concentrations to discuss the contribution of different atoms in magnetic moments and magnetic coupling.

Notice en format standard (ISO 2709)

Pour connaître la documentation sur le format Inist Standard.

A01	`01`	`1`		`@0 0925-8388`
A03		`1`		`@0 J. alloys compd.`
A05				`@2 551`
A08	`01`	`1`	`ENG`	`@1 Ab initio study of ZnCoO diluted magnetic semiconductor and its magnetic properties`
A11	`01`	`1`		`@1 LARDJANE (S.)`
A11	`02`	`1`		`@1 MERAD (G.)`
A11	`03`	`1`		`@1 FENINECHE (N.)`
A11	`04`	`1`		`@1 BILLARD (A.)`
A11	`05`	`1`		`@1 FARAOUN (H. I.)`
A14	`01`			`@1 Laboratoire d'Etudes et de Recherches, les Procedes et les Surfaces, IRTES-LERMPS, UTBM, Site de Montbéliard @2 90010 Belfort @3 FRA @Z 1 aut. @Z 3 aut. @Z 4 aut.`
A14	`02`			`@1 Laboratoire d'Etude et Prédiction des Matériaux, Unité de Recherche Matériaux et Energies Renouvelables, LEPM-URMER, Université de Tlemcen @3 DZA @Z 1 aut. @Z 2 aut. @Z 5 aut.`
A20				`@1 306-311`
A21				`@1 2013`
A23	`01`			`@0 ENG`
A43	`01`			`@1 INIST @2 1151 @5 354000502447070520`
A44				`@0 0000 @1 © 2013 INIST-CNRS. All rights reserved.`
A45				`@0 52 ref.`
A47	`01`	`1`		`@0 13-0230165`
A60				`@1 P`
A61				`@0 A`
A64	`01`	`1`		`@0 Journal of alloys and compounds`
A66	`01`			`@0 GBR`
C01	`01`		`ENG`	@0 Transition metal-doped wide band gap semiconductors, such as ZnO, attract much attention due to the theoretical prediction that ZnO is a room temperature ferromagnetic semiconductor [1,2]. Very controversial experimental and theoretical papers have been published to discuss the origin of ferromagnetic ordering and the relevance of the Curie temperature (T_c) of Co-doped ZnO [3-5]. In order to get better insight, electronic structure of Co_xZn_1-xO magnetic semiconductor was investigated via first principle calculations. The generalised gradient approximations (GGA) and the GGA with Hubbard U correction (GGA + U) in the framework of density functional theory (DFT) have been used. Calculations are done for different doping concentrations to discuss the contribution of different atoms in magnetic moments and magnetic coupling.
C02	`01`	`3`		`@0 001B70E25`
C02	`02`	`3`		`@0 001B70E50P`
C03	`01`	`3`	`FRE`	`@0 Calcul ab initio @5 02`
C03	`01`	`3`	`ENG`	`@0 Ab initio calculations @5 02`
C03	`02`	`X`	`FRE`	`@0 Dopage @5 03`
C03	`02`	`X`	`ENG`	`@0 Doping @5 03`
C03	`02`	`X`	`SPA`	`@0 Doping @5 03`
C03	`03`	`3`	`FRE`	`@0 Addition métal transition @5 04`
C03	`03`	`3`	`ENG`	`@0 Transition element additions @5 04`
C03	`04`	`3`	`FRE`	`@0 Ferromagnétisme @5 05`
C03	`04`	`3`	`ENG`	`@0 Ferromagnetism @5 05`
C03	`05`	`3`	`FRE`	`@0 Point Curie @5 06`
C03	`05`	`3`	`ENG`	`@0 Curie point @5 06`
C03	`06`	`3`	`FRE`	`@0 Addition cobalt @5 07`
C03	`06`	`3`	`ENG`	`@0 Cobalt additions @5 07`
C03	`07`	`3`	`FRE`	`@0 Structure électronique @5 09`
C03	`07`	`3`	`ENG`	`@0 Electronic structure @5 09`
C03	`08`	`3`	`FRE`	`@0 Méthode fonctionnelle densité @5 10`
C03	`08`	`3`	`ENG`	`@0 Density functional method @5 10`
C03	`09`	`3`	`FRE`	`@0 Approximation gradient généralisé @5 11`
C03	`09`	`3`	`ENG`	`@0 Generalized gradient approximation @5 11`
C03	`10`	`3`	`FRE`	`@0 Modèle Hubbard @5 12`
C03	`10`	`3`	`ENG`	`@0 Hubbard model @5 12`
C03	`11`	`X`	`FRE`	`@0 Concentration impureté @5 13`
C03	`11`	`X`	`ENG`	`@0 Impurity density @5 13`
C03	`11`	`X`	`SPA`	`@0 Concentración impureza @5 13`
C03	`12`	`3`	`FRE`	`@0 Moment magnétique @5 14`
C03	`12`	`3`	`ENG`	`@0 Magnetic moments @5 14`
C03	`13`	`3`	`FRE`	`@0 Semiconducteur semimagnétique @5 15`
C03	`13`	`3`	`ENG`	`@0 Semimagnetic semiconductors @5 15`
C03	`14`	`3`	`FRE`	`@0 Semiconducteur bande interdite large @5 16`
C03	`14`	`3`	`ENG`	`@0 Wide band gap semiconductors @5 16`
C03	`15`	`X`	`FRE`	`@0 Oxyde de zinc @5 17`
C03	`15`	`X`	`ENG`	`@0 Zinc oxide @5 17`
C03	`15`	`X`	`SPA`	`@0 Zinc óxido @5 17`
C03	`16`	`3`	`FRE`	`@0 ZnO @4 INC @5 52`
N21				`@1 217`

Format Inist (serveur)

NO :	PASCAL 13-0230165 INIST
ET :	Ab initio study of ZnCoO diluted magnetic semiconductor and its magnetic properties
AU :	LARDJANE (S.); MERAD (G.); FENINECHE (N.); BILLARD (A.); FARAOUN (H. I.)
AF :	Laboratoire d'Etudes et de Recherches, les Procedes et les Surfaces, IRTES-LERMPS, UTBM, Site de Montbéliard/90010 Belfort/France (1 aut., 3 aut., 4 aut.); Laboratoire d'Etude et Prédiction des Matériaux, Unité de Recherche Matériaux et Energies Renouvelables, LEPM-URMER, Université de Tlemcen/Algérie (1 aut., 2 aut., 5 aut.)
DT :	Publication en série; Niveau analytique
SO :	Journal of alloys and compounds; ISSN 0925-8388; Royaume-Uni; Da. 2013; Vol. 551; Pp. 306-311; Bibl. 52 ref.
LA :	Anglais
EA :	Transition metal-doped wide band gap semiconductors, such as ZnO, attract much attention due to the theoretical prediction that ZnO is a room temperature ferromagnetic semiconductor [1,2]. Very controversial experimental and theoretical papers have been published to discuss the origin of ferromagnetic ordering and the relevance of the Curie temperature (T_c) of Co-doped ZnO [3-5]. In order to get better insight, electronic structure of Co_xZn_1-xO magnetic semiconductor was investigated via first principle calculations. The generalised gradient approximations (GGA) and the GGA with Hubbard U correction (GGA + U) in the framework of density functional theory (DFT) have been used. Calculations are done for different doping concentrations to discuss the contribution of different atoms in magnetic moments and magnetic coupling.
CC :	001B70E25; 001B70E50P
FD :	Calcul ab initio; Dopage; Addition métal transition; Ferromagnétisme; Point Curie; Addition cobalt; Structure électronique; Méthode fonctionnelle densité; Approximation gradient généralisé; Modèle Hubbard; Concentration impureté; Moment magnétique; Semiconducteur semimagnétique; Semiconducteur bande interdite large; Oxyde de zinc; ZnO
ED :	Ab initio calculations; Doping; Transition element additions; Ferromagnetism; Curie point; Cobalt additions; Electronic structure; Density functional method; Generalized gradient approximation; Hubbard model; Impurity density; Magnetic moments; Semimagnetic semiconductors; Wide band gap semiconductors; Zinc oxide
SD :	Doping; Concentración impureza; Zinc óxido
LO :	INIST-1151.354000502447070520
ID :	13-0230165

Links to Exploration step

Pascal:13-0230165

Le document en format XML

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<term>Electronic structure</term>
<term>Ferromagnetism</term>
<term>Generalized gradient approximation</term>
<term>Hubbard model</term>
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<term>Point Curie</term>
<term>Addition cobalt</term>
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<term>Méthode fonctionnelle densité</term>
<term>Approximation gradient généralisé</term>
<term>Modèle Hubbard</term>
<term>Concentration impureté</term>
<term>Moment magnétique</term>
<term>Semiconducteur semimagnétique</term>
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<front><div type="abstract" xml:lang="en">Transition metal-doped wide band gap semiconductors, such as ZnO, attract much attention due to the theoretical prediction that ZnO is a room temperature ferromagnetic semiconductor [1,2]. Very controversial experimental and theoretical papers have been published to discuss the origin of ferromagnetic ordering and the relevance of the Curie temperature (T<sub>c</sub>
) of Co-doped ZnO [3-5]. In order to get better insight, electronic structure of Co<sub>x</sub>
Zn<sub>1-x</sub>
O magnetic semiconductor was investigated via first principle calculations. The generalised gradient approximations (GGA) and the GGA with Hubbard U correction (GGA + U) in the framework of density functional theory (DFT) have been used. Calculations are done for different doping concentrations to discuss the contribution of different atoms in magnetic moments and magnetic coupling.</div>
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<fA11 i1="01" i2="1"><s1>LARDJANE (S.)</s1>
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<fC01 i1="01" l="ENG"><s0>Transition metal-doped wide band gap semiconductors, such as ZnO, attract much attention due to the theoretical prediction that ZnO is a room temperature ferromagnetic semiconductor [1,2]. Very controversial experimental and theoretical papers have been published to discuss the origin of ferromagnetic ordering and the relevance of the Curie temperature (T<sub>c</sub>
) of Co-doped ZnO [3-5]. In order to get better insight, electronic structure of Co<sub>x</sub>
Zn<sub>1-x</sub>
O magnetic semiconductor was investigated via first principle calculations. The generalised gradient approximations (GGA) and the GGA with Hubbard U correction (GGA + U) in the framework of density functional theory (DFT) have been used. Calculations are done for different doping concentrations to discuss the contribution of different atoms in magnetic moments and magnetic coupling.</s0>
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<s5>06</s5>
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<s5>07</s5>
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<fC03 i1="06" i2="3" l="ENG"><s0>Cobalt additions</s0>
<s5>07</s5>
</fC03>
<fC03 i1="07" i2="3" l="FRE"><s0>Structure électronique</s0>
<s5>09</s5>
</fC03>
<fC03 i1="07" i2="3" l="ENG"><s0>Electronic structure</s0>
<s5>09</s5>
</fC03>
<fC03 i1="08" i2="3" l="FRE"><s0>Méthode fonctionnelle densité</s0>
<s5>10</s5>
</fC03>
<fC03 i1="08" i2="3" l="ENG"><s0>Density functional method</s0>
<s5>10</s5>
</fC03>
<fC03 i1="09" i2="3" l="FRE"><s0>Approximation gradient généralisé</s0>
<s5>11</s5>
</fC03>
<fC03 i1="09" i2="3" l="ENG"><s0>Generalized gradient approximation</s0>
<s5>11</s5>
</fC03>
<fC03 i1="10" i2="3" l="FRE"><s0>Modèle Hubbard</s0>
<s5>12</s5>
</fC03>
<fC03 i1="10" i2="3" l="ENG"><s0>Hubbard model</s0>
<s5>12</s5>
</fC03>
<fC03 i1="11" i2="X" l="FRE"><s0>Concentration impureté</s0>
<s5>13</s5>
</fC03>
<fC03 i1="11" i2="X" l="ENG"><s0>Impurity density</s0>
<s5>13</s5>
</fC03>
<fC03 i1="11" i2="X" l="SPA"><s0>Concentración impureza</s0>
<s5>13</s5>
</fC03>
<fC03 i1="12" i2="3" l="FRE"><s0>Moment magnétique</s0>
<s5>14</s5>
</fC03>
<fC03 i1="12" i2="3" l="ENG"><s0>Magnetic moments</s0>
<s5>14</s5>
</fC03>
<fC03 i1="13" i2="3" l="FRE"><s0>Semiconducteur semimagnétique</s0>
<s5>15</s5>
</fC03>
<fC03 i1="13" i2="3" l="ENG"><s0>Semimagnetic semiconductors</s0>
<s5>15</s5>
</fC03>
<fC03 i1="14" i2="3" l="FRE"><s0>Semiconducteur bande interdite large</s0>
<s5>16</s5>
</fC03>
<fC03 i1="14" i2="3" l="ENG"><s0>Wide band gap semiconductors</s0>
<s5>16</s5>
</fC03>
<fC03 i1="15" i2="X" l="FRE"><s0>Oxyde de zinc</s0>
<s5>17</s5>
</fC03>
<fC03 i1="15" i2="X" l="ENG"><s0>Zinc oxide</s0>
<s5>17</s5>
</fC03>
<fC03 i1="15" i2="X" l="SPA"><s0>Zinc óxido</s0>
<s5>17</s5>
</fC03>
<fC03 i1="16" i2="3" l="FRE"><s0>ZnO</s0>
<s4>INC</s4>
<s5>52</s5>
</fC03>
<fN21><s1>217</s1>
</fN21>
</pA>
</standard>
<server><NO>PASCAL 13-0230165 INIST</NO>
<ET>Ab initio study of ZnCoO diluted magnetic semiconductor and its magnetic properties</ET>
<AU>LARDJANE (S.); MERAD (G.); FENINECHE (N.); BILLARD (A.); FARAOUN (H. I.)</AU>
<AF>Laboratoire d'Etudes et de Recherches, les Procedes et les Surfaces, IRTES-LERMPS, UTBM, Site de Montbéliard/90010 Belfort/France (1 aut., 3 aut., 4 aut.); Laboratoire d'Etude et Prédiction des Matériaux, Unité de Recherche Matériaux et Energies Renouvelables, LEPM-URMER, Université de Tlemcen/Algérie (1 aut., 2 aut., 5 aut.)</AF>
<DT>Publication en série; Niveau analytique</DT>
<SO>Journal of alloys and compounds; ISSN 0925-8388; Royaume-Uni; Da. 2013; Vol. 551; Pp. 306-311; Bibl. 52 ref.</SO>
<LA>Anglais</LA>
<EA>Transition metal-doped wide band gap semiconductors, such as ZnO, attract much attention due to the theoretical prediction that ZnO is a room temperature ferromagnetic semiconductor [1,2]. Very controversial experimental and theoretical papers have been published to discuss the origin of ferromagnetic ordering and the relevance of the Curie temperature (T<sub>c</sub>
) of Co-doped ZnO [3-5]. In order to get better insight, electronic structure of Co<sub>x</sub>
Zn<sub>1-x</sub>
O magnetic semiconductor was investigated via first principle calculations. The generalised gradient approximations (GGA) and the GGA with Hubbard U correction (GGA + U) in the framework of density functional theory (DFT) have been used. Calculations are done for different doping concentrations to discuss the contribution of different atoms in magnetic moments and magnetic coupling.</EA>
<CC>001B70E25; 001B70E50P</CC>
<FD>Calcul ab initio; Dopage; Addition métal transition; Ferromagnétisme; Point Curie; Addition cobalt; Structure électronique; Méthode fonctionnelle densité; Approximation gradient généralisé; Modèle Hubbard; Concentration impureté; Moment magnétique; Semiconducteur semimagnétique; Semiconducteur bande interdite large; Oxyde de zinc; ZnO</FD>
<ED>Ab initio calculations; Doping; Transition element additions; Ferromagnetism; Curie point; Cobalt additions; Electronic structure; Density functional method; Generalized gradient approximation; Hubbard model; Impurity density; Magnetic moments; Semimagnetic semiconductors; Wide band gap semiconductors; Zinc oxide</ED>
<SD>Doping; Concentración impureza; Zinc óxido</SD>
<LO>INIST-1151.354000502447070520</LO>
<ID>13-0230165</ID>
</server>
</inist>
</record>

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Ab initio study of ZnCoO diluted magnetic semiconductor and its magnetic properties

Ab initio study of ZnCoO diluted magnetic semiconductor and its magnetic properties

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