CobaltMaghrebV1, PascalFrancis, Corpus, bibRecord, 000037

First-principles study on electronic and magnetic properties of N mono-doped and (N, Co) co-doped ZnO

Identifieur interne : 000037 ( PascalFrancis/Corpus ); précédent : 000036; suivant : 000038

First-principles study on electronic and magnetic properties of N mono-doped and (N, Co) co-doped ZnO

Auteurs : A. Abbad ; H. A. Bentounes ; W. Benstaali ; A. Belaidi

Source :

Journal of magnetism and magnetic materials [ 0304-8853 ] ; 2013.

RBID : Pascal:13-0029702

Descripteurs français

Pascal (Inist)
- Méthode fonctionnelle densité, Densité état électron, Addition cobalt, Semimétal, Codopage, Approximation densité spin locale, Concentration impureté, Addition azote, Hybridation, Moment magnétique, Ferromagnétisme, Centre accepteur, Potentiel ionisation, Oxyde de zinc, Matériau ferromagnétique, Semiconducteur semimagnétique, ZnO.

English descriptors

KwdEn :
- Acceptor center, Cobalt additions, Codoping, Density functional method, Electronic density of states, Ferromagnetic materials, Ferromagnetism, Hybridization, Impurity density, Ionization potential, Local spin density approximation, Magnetic moments, Nitrogen additions, Semimagnetic semiconductors, Semimetals, Zinc oxide.

Abstract

Using first principles calculations based on the density functional theory and local spin density approximation, we predict magnetic and electronic properties of N mono-doped and (N-Co) co-doped ZnO for different dopants concentration. The results show that ZnO doped with N concentration of 12.5% is p-type, semi-metallic and ferromagnetic due to the strong hybridization effect between N 2p and O 2p states, with a total magnetic moment of 1 μ_B mainly arises from N 2p orbitals. Nevertheless we find a deep and narrow acceptor level, resulting in large acceptor ionization energy of ZnO (N). With increasing N concentration to 25% we find that the impurity energy level is shallow and shifts downward to the direction of low energy, consequentially, the acceptor binding energy is reduced. (N-Co) co-doped ZnO with a concentration of 12.5% for the two dopants is p-type and half-metallic with an important magnetic moment of 3.98 μ_B, due to Co 3d and N 2p states.

Notice en format standard (ISO 2709)

Pour connaître la documentation sur le format Inist Standard.

A01	`01`	`1`		`@0 0304-8853`
A02	`01`			`@0 JMMMDC`
A03		`1`		`@0 J. magn. magn. mater.`
A05				`@2 326`
A08	`01`	`1`	`ENG`	`@1 First-principles study on electronic and magnetic properties of N mono-doped and (N, Co) co-doped ZnO`
A11	`01`	`1`		`@1 ABBAD (A.)`
A11	`02`	`1`		`@1 BENTOUNES (H. A.)`
A11	`03`	`1`		`@1 BENSTAALI (W.)`
A11	`04`	`1`		`@1 BELAIDI (A.)`
A14	`01`			`@1 Laboratory of Material Valorisation, Faculty of Sciences and Technology, BP 227, Abdelhamid Ibn Badis University @2 Mostaganem 27000 @3 DZA @Z 1 aut. @Z 3 aut.`
A14	`02`			`@1 Signals and Systems Laboratory (LSS), Faculty of Sciences and Technology, BP 227, Abdelhamid Ibn Badis University @2 Mostaganem 27000 @3 DZA @Z 2 aut.`
A14	`03`			`@1 Automatic and Systems Analysis Laboratory (LAAS), ENSET @2 Oran 31000 @3 DZA @Z 4 aut.`
A20				`@1 28-30`
A21				`@1 2013`
A23	`01`			`@0 ENG`
A43	`01`			`@1 INIST @2 17230 @5 354000506898020050`
A44				`@0 0000 @1 © 2013 INIST-CNRS. All rights reserved.`
A45				`@0 31 ref.`
A47	`01`	`1`		`@0 13-0029702`
A60				`@1 P`
A61				`@0 A`
A64	`01`	`1`		`@0 Journal of magnetism and magnetic materials`
A66	`01`			`@0 NLD`
C01	`01`		`ENG`	@0 Using first principles calculations based on the density functional theory and local spin density approximation, we predict magnetic and electronic properties of N mono-doped and (N-Co) co-doped ZnO for different dopants concentration. The results show that ZnO doped with N concentration of 12.5% is p-type, semi-metallic and ferromagnetic due to the strong hybridization effect between N 2p and O 2p states, with a total magnetic moment of 1 μ_B mainly arises from N 2p orbitals. Nevertheless we find a deep and narrow acceptor level, resulting in large acceptor ionization energy of ZnO (N). With increasing N concentration to 25% we find that the impurity energy level is shallow and shifts downward to the direction of low energy, consequentially, the acceptor binding energy is reduced. (N-Co) co-doped ZnO with a concentration of 12.5% for the two dopants is p-type and half-metallic with an important magnetic moment of 3.98 μ_B, due to Co 3d and N 2p states.
C02	`01`	`3`		`@0 001B70A20N`
C02	`02`	`3`		`@0 001B70E50P`
C03	`01`	`3`	`FRE`	`@0 Méthode fonctionnelle densité @5 02`
C03	`01`	`3`	`ENG`	`@0 Density functional method @5 02`
C03	`02`	`3`	`FRE`	`@0 Densité état électron @5 03`
C03	`02`	`3`	`ENG`	`@0 Electronic density of states @5 03`
C03	`03`	`3`	`FRE`	`@0 Addition cobalt @5 04`
C03	`03`	`3`	`ENG`	`@0 Cobalt additions @5 04`
C03	`04`	`3`	`FRE`	`@0 Semimétal @5 05`
C03	`04`	`3`	`ENG`	`@0 Semimetals @5 05`
C03	`05`	`X`	`FRE`	`@0 Codopage @5 06`
C03	`05`	`X`	`ENG`	`@0 Codoping @5 06`
C03	`05`	`X`	`SPA`	`@0 Codrogado @5 06`
C03	`06`	`X`	`FRE`	`@0 Approximation densité spin locale @5 07`
C03	`06`	`X`	`ENG`	`@0 Local spin density approximation @5 07`
C03	`06`	`X`	`SPA`	`@0 Aproximación densidad espin local @5 07`
C03	`07`	`X`	`FRE`	`@0 Concentration impureté @5 08`
C03	`07`	`X`	`ENG`	`@0 Impurity density @5 08`
C03	`07`	`X`	`SPA`	`@0 Concentración impureza @5 08`
C03	`08`	`3`	`FRE`	`@0 Addition azote @5 09`
C03	`08`	`3`	`ENG`	`@0 Nitrogen additions @5 09`
C03	`09`	`3`	`FRE`	`@0 Hybridation @5 10`
C03	`09`	`3`	`ENG`	`@0 Hybridization @5 10`
C03	`10`	`3`	`FRE`	`@0 Moment magnétique @5 11`
C03	`10`	`3`	`ENG`	`@0 Magnetic moments @5 11`
C03	`11`	`3`	`FRE`	`@0 Ferromagnétisme @5 12`
C03	`11`	`3`	`ENG`	`@0 Ferromagnetism @5 12`
C03	`12`	`X`	`FRE`	`@0 Centre accepteur @5 13`
C03	`12`	`X`	`ENG`	`@0 Acceptor center @5 13`
C03	`12`	`X`	`SPA`	`@0 Centro aceptor @5 13`
C03	`13`	`3`	`FRE`	`@0 Potentiel ionisation @5 14`
C03	`13`	`3`	`ENG`	`@0 Ionization potential @5 14`
C03	`14`	`X`	`FRE`	`@0 Oxyde de zinc @5 15`
C03	`14`	`X`	`ENG`	`@0 Zinc oxide @5 15`
C03	`14`	`X`	`SPA`	`@0 Zinc óxido @5 15`
C03	`15`	`3`	`FRE`	`@0 Matériau ferromagnétique @5 16`
C03	`15`	`3`	`ENG`	`@0 Ferromagnetic materials @5 16`
C03	`16`	`3`	`FRE`	`@0 Semiconducteur semimagnétique @5 17`
C03	`16`	`3`	`ENG`	`@0 Semimagnetic semiconductors @5 17`
C03	`17`	`3`	`FRE`	`@0 ZnO @4 INC @5 52`
N21				`@1 014`

Format Inist (serveur)

NO :	PASCAL 13-0029702 INIST
ET :	First-principles study on electronic and magnetic properties of N mono-doped and (N, Co) co-doped ZnO
AU :	ABBAD (A.); BENTOUNES (H. A.); BENSTAALI (W.); BELAIDI (A.)
AF :	Laboratory of Material Valorisation, Faculty of Sciences and Technology, BP 227, Abdelhamid Ibn Badis University/Mostaganem 27000/Algérie (1 aut., 3 aut.); Signals and Systems Laboratory (LSS), Faculty of Sciences and Technology, BP 227, Abdelhamid Ibn Badis University/Mostaganem 27000/Algérie (2 aut.); Automatic and Systems Analysis Laboratory (LAAS), ENSET/Oran 31000/Algérie (4 aut.)
DT :	Publication en série; Niveau analytique
SO :	Journal of magnetism and magnetic materials; ISSN 0304-8853; Coden JMMMDC; Pays-Bas; Da. 2013; Vol. 326; Pp. 28-30; Bibl. 31 ref.
LA :	Anglais
EA :	Using first principles calculations based on the density functional theory and local spin density approximation, we predict magnetic and electronic properties of N mono-doped and (N-Co) co-doped ZnO for different dopants concentration. The results show that ZnO doped with N concentration of 12.5% is p-type, semi-metallic and ferromagnetic due to the strong hybridization effect between N 2p and O 2p states, with a total magnetic moment of 1 μ_B mainly arises from N 2p orbitals. Nevertheless we find a deep and narrow acceptor level, resulting in large acceptor ionization energy of ZnO (N). With increasing N concentration to 25% we find that the impurity energy level is shallow and shifts downward to the direction of low energy, consequentially, the acceptor binding energy is reduced. (N-Co) co-doped ZnO with a concentration of 12.5% for the two dopants is p-type and half-metallic with an important magnetic moment of 3.98 μ_B, due to Co 3d and N 2p states.
CC :	001B70A20N; 001B70E50P
FD :	Méthode fonctionnelle densité; Densité état électron; Addition cobalt; Semimétal; Codopage; Approximation densité spin locale; Concentration impureté; Addition azote; Hybridation; Moment magnétique; Ferromagnétisme; Centre accepteur; Potentiel ionisation; Oxyde de zinc; Matériau ferromagnétique; Semiconducteur semimagnétique; ZnO
ED :	Density functional method; Electronic density of states; Cobalt additions; Semimetals; Codoping; Local spin density approximation; Impurity density; Nitrogen additions; Hybridization; Magnetic moments; Ferromagnetism; Acceptor center; Ionization potential; Zinc oxide; Ferromagnetic materials; Semimagnetic semiconductors
SD :	Codrogado; Aproximación densidad espin local; Concentración impureza; Centro aceptor; Zinc óxido
LO :	INIST-17230.354000506898020050
ID :	13-0029702

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Pascal:13-0029702

Le document en format XML

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<term>Codopage</term>
<term>Approximation densité spin locale</term>
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<term>Addition azote</term>
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<term>Moment magnétique</term>
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<term>Centre accepteur</term>
<term>Potentiel ionisation</term>
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<front><div type="abstract" xml:lang="en">Using first principles calculations based on the density functional theory and local spin density approximation, we predict magnetic and electronic properties of N mono-doped and (N-Co) co-doped ZnO for different dopants concentration. The results show that ZnO doped with N concentration of 12.5% is p-type, semi-metallic and ferromagnetic due to the strong hybridization effect between N 2p and O 2p states, with a total magnetic moment of 1 μ<sub>B</sub>
 mainly arises from N 2p orbitals. Nevertheless we find a deep and narrow acceptor level, resulting in large acceptor ionization energy of ZnO (N). With increasing N concentration to 25% we find that the impurity energy level is shallow and shifts downward to the direction of low energy, consequentially, the acceptor binding energy is reduced. (N-Co) co-doped ZnO with a concentration of 12.5% for the two dopants is p-type and half-metallic with an important magnetic moment of 3.98 μ<sub>B</sub>
, due to Co 3d and N 2p states.</div>
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<fC01 i1="01" l="ENG"><s0>Using first principles calculations based on the density functional theory and local spin density approximation, we predict magnetic and electronic properties of N mono-doped and (N-Co) co-doped ZnO for different dopants concentration. The results show that ZnO doped with N concentration of 12.5% is p-type, semi-metallic and ferromagnetic due to the strong hybridization effect between N 2p and O 2p states, with a total magnetic moment of 1 μ<sub>B</sub>
 mainly arises from N 2p orbitals. Nevertheless we find a deep and narrow acceptor level, resulting in large acceptor ionization energy of ZnO (N). With increasing N concentration to 25% we find that the impurity energy level is shallow and shifts downward to the direction of low energy, consequentially, the acceptor binding energy is reduced. (N-Co) co-doped ZnO with a concentration of 12.5% for the two dopants is p-type and half-metallic with an important magnetic moment of 3.98 μ<sub>B</sub>
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<s5>03</s5>
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<s5>05</s5>
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<s5>06</s5>
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<s5>06</s5>
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<s5>08</s5>
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<s5>08</s5>
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<s5>08</s5>
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<s5>09</s5>
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<fC03 i1="08" i2="3" l="ENG"><s0>Nitrogen additions</s0>
<s5>09</s5>
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<s5>10</s5>
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<fC03 i1="09" i2="3" l="ENG"><s0>Hybridization</s0>
<s5>10</s5>
</fC03>
<fC03 i1="10" i2="3" l="FRE"><s0>Moment magnétique</s0>
<s5>11</s5>
</fC03>
<fC03 i1="10" i2="3" l="ENG"><s0>Magnetic moments</s0>
<s5>11</s5>
</fC03>
<fC03 i1="11" i2="3" l="FRE"><s0>Ferromagnétisme</s0>
<s5>12</s5>
</fC03>
<fC03 i1="11" i2="3" l="ENG"><s0>Ferromagnetism</s0>
<s5>12</s5>
</fC03>
<fC03 i1="12" i2="X" l="FRE"><s0>Centre accepteur</s0>
<s5>13</s5>
</fC03>
<fC03 i1="12" i2="X" l="ENG"><s0>Acceptor center</s0>
<s5>13</s5>
</fC03>
<fC03 i1="12" i2="X" l="SPA"><s0>Centro aceptor</s0>
<s5>13</s5>
</fC03>
<fC03 i1="13" i2="3" l="FRE"><s0>Potentiel ionisation</s0>
<s5>14</s5>
</fC03>
<fC03 i1="13" i2="3" l="ENG"><s0>Ionization potential</s0>
<s5>14</s5>
</fC03>
<fC03 i1="14" i2="X" l="FRE"><s0>Oxyde de zinc</s0>
<s5>15</s5>
</fC03>
<fC03 i1="14" i2="X" l="ENG"><s0>Zinc oxide</s0>
<s5>15</s5>
</fC03>
<fC03 i1="14" i2="X" l="SPA"><s0>Zinc óxido</s0>
<s5>15</s5>
</fC03>
<fC03 i1="15" i2="3" l="FRE"><s0>Matériau ferromagnétique</s0>
<s5>16</s5>
</fC03>
<fC03 i1="15" i2="3" l="ENG"><s0>Ferromagnetic materials</s0>
<s5>16</s5>
</fC03>
<fC03 i1="16" i2="3" l="FRE"><s0>Semiconducteur semimagnétique</s0>
<s5>17</s5>
</fC03>
<fC03 i1="16" i2="3" l="ENG"><s0>Semimagnetic semiconductors</s0>
<s5>17</s5>
</fC03>
<fC03 i1="17" i2="3" l="FRE"><s0>ZnO</s0>
<s4>INC</s4>
<s5>52</s5>
</fC03>
<fN21><s1>014</s1>
</fN21>
</pA>
</standard>
<server><NO>PASCAL 13-0029702 INIST</NO>
<ET>First-principles study on electronic and magnetic properties of N mono-doped and (N, Co) co-doped ZnO</ET>
<AU>ABBAD (A.); BENTOUNES (H. A.); BENSTAALI (W.); BELAIDI (A.)</AU>
<AF>Laboratory of Material Valorisation, Faculty of Sciences and Technology, BP 227, Abdelhamid Ibn Badis University/Mostaganem 27000/Algérie (1 aut., 3 aut.); Signals and Systems Laboratory (LSS), Faculty of Sciences and Technology, BP 227, Abdelhamid Ibn Badis University/Mostaganem 27000/Algérie (2 aut.); Automatic and Systems Analysis Laboratory (LAAS), ENSET/Oran 31000/Algérie (4 aut.)</AF>
<DT>Publication en série; Niveau analytique</DT>
<SO>Journal of magnetism and magnetic materials; ISSN 0304-8853; Coden JMMMDC; Pays-Bas; Da. 2013; Vol. 326; Pp. 28-30; Bibl. 31 ref.</SO>
<LA>Anglais</LA>
<EA>Using first principles calculations based on the density functional theory and local spin density approximation, we predict magnetic and electronic properties of N mono-doped and (N-Co) co-doped ZnO for different dopants concentration. The results show that ZnO doped with N concentration of 12.5% is p-type, semi-metallic and ferromagnetic due to the strong hybridization effect between N 2p and O 2p states, with a total magnetic moment of 1 μ<sub>B</sub>
 mainly arises from N 2p orbitals. Nevertheless we find a deep and narrow acceptor level, resulting in large acceptor ionization energy of ZnO (N). With increasing N concentration to 25% we find that the impurity energy level is shallow and shifts downward to the direction of low energy, consequentially, the acceptor binding energy is reduced. (N-Co) co-doped ZnO with a concentration of 12.5% for the two dopants is p-type and half-metallic with an important magnetic moment of 3.98 μ<sub>B</sub>
, due to Co 3d and N 2p states.</EA>
<CC>001B70A20N; 001B70E50P</CC>
<FD>Méthode fonctionnelle densité; Densité état électron; Addition cobalt; Semimétal; Codopage; Approximation densité spin locale; Concentration impureté; Addition azote; Hybridation; Moment magnétique; Ferromagnétisme; Centre accepteur; Potentiel ionisation; Oxyde de zinc; Matériau ferromagnétique; Semiconducteur semimagnétique; ZnO</FD>
<ED>Density functional method; Electronic density of states; Cobalt additions; Semimetals; Codoping; Local spin density approximation; Impurity density; Nitrogen additions; Hybridization; Magnetic moments; Ferromagnetism; Acceptor center; Ionization potential; Zinc oxide; Ferromagnetic materials; Semimagnetic semiconductors</ED>
<SD>Codrogado; Aproximación densidad espin local; Concentración impureza; Centro aceptor; Zinc óxido</SD>
<LO>INIST-17230.354000506898020050</LO>
<ID>13-0029702</ID>
</server>
</inist>
</record>

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First-principles study on electronic and magnetic properties of N mono-doped and (N, Co) co-doped ZnO

First-principles study on electronic and magnetic properties of N mono-doped and (N, Co) co-doped ZnO

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