IndiumV3, Chine, Analysis, bibRecord, 000118

Roles of oxygen vacancy on ferromagnetism in Ni doped In2O3: A hybrid functional study

Identifieur interne : 000118 ( Chine/Analysis ); précédent : 000117; suivant : 000119

Roles of oxygen vacancy on ferromagnetism in Ni doped In2O3: A hybrid functional study

Auteurs : RBID : Pascal:13-0351520

Descripteurs français

Pascal (Inist)
- Lacune, Ferromagnétisme, Addition nickel, Interaction échange, Densité état électron, Méthode fonctionnelle densité, Interaction superéchange, Hybridation, Aimantation saturation, Dopage, Oxyde d'indium, Matériau ferromagnétique, Semiconducteur magnétique, Polycristal, In2O3.
Wicri :
- concept : Dopage.

English descriptors

KwdEn :
- Density functional method, Doping, Electronic density of states, Exchange interactions, Ferromagnetic materials, Ferromagnetism, Hybridization, Indium oxide, Magnetic semiconductors, Nickel additions, Polycrystals, Saturation magnetization, Superexchange interactions, Vacancies.

Abstract

The roles of oxygen vacancies on the electronic and magnetic properties of Ni doped In₂O₃ have been studied by first-principles calculations based on hybrid functional theory. Our results predict that the Ni-doped In₂O₃ system displays a ferromagnetic semiconducting character. However, the presence of oxygen vacancies results in antiferromagnetic coupling between the neighboring Ni pair bridged by an oxygen vacancy. The antiferromagnetic coupling is found to arise from the predominant role of superexchange due to the strong Ni 3d-0 2p hybridization. Consequently, the oxygen vacancies play a key role in the lower saturation magnetization of Ni:In₂O₃ polycrystalline sample, as observed in experiments.

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Le document en format XML

<record><TEI><teiHeader><fileDesc><titleStmt><title xml:lang="en" level="a">Roles of oxygen vacancy on ferromagnetism in Ni doped In<sub>2</sub>
O<sub>3</sub>
: A hybrid functional study</title>
<author><name sortKey="Wang, V" uniqKey="Wang V">V. Wang</name>
<affiliation wicri:level="1"><inist:fA14 i1="01"><s1>Department of Applied Physics, Xi'an University of Technology</s1>
<s2>Xi'an 710054</s2>
<s3>CHN</s3>
<sZ>1 aut.</sZ>
<sZ>4 aut.</sZ>
</inist:fA14>
<country>République populaire de Chine</country>
<wicri:noRegion>Xi'an 710054</wicri:noRegion>
</affiliation>
</author>
<author><name sortKey="You, C Y" uniqKey="You C">C.-Y. You</name>
<affiliation wicri:level="1"><inist:fA14 i1="02"><s1>School of Materials Science and Engineering, Xi'an University of Technology</s1>
<s2>Xi'an 710048</s2>
<s3>CHN</s3>
<sZ>2 aut.</sZ>
</inist:fA14>
<country>République populaire de Chine</country>
<wicri:noRegion>Xi'an 710048</wicri:noRegion>
</affiliation>
</author>
<author><name sortKey="He, H P" uniqKey="He H">H.-P. He</name>
<affiliation wicri:level="1"><inist:fA14 i1="03"><s1>Department of Geological Engineering, Lanzhou Resources & Environment Voc-Tech College</s1>
<s2>Lanzhou 730021</s2>
<s3>CHN</s3>
<sZ>3 aut.</sZ>
</inist:fA14>
<country>République populaire de Chine</country>
<wicri:noRegion>Lanzhou 730021</wicri:noRegion>
</affiliation>
</author>
<author><name sortKey="Ma, D M" uniqKey="Ma D">D.-M. Ma</name>
<affiliation wicri:level="1"><inist:fA14 i1="01"><s1>Department of Applied Physics, Xi'an University of Technology</s1>
<s2>Xi'an 710054</s2>
<s3>CHN</s3>
<sZ>1 aut.</sZ>
<sZ>4 aut.</sZ>
</inist:fA14>
<country>République populaire de Chine</country>
<wicri:noRegion>Xi'an 710054</wicri:noRegion>
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</author>
<author><name sortKey="Mizuseki, H" uniqKey="Mizuseki H">H. Mizuseki</name>
<affiliation wicri:level="1"><inist:fA14 i1="04"><s1>Institute for Materials Research, Tohoku University</s1>
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<country>Japon</country>
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</author>
<author><name sortKey="Kawazoe, Y" uniqKey="Kawazoe Y">Y. Kawazoe</name>
<affiliation wicri:level="1"><inist:fA14 i1="04"><s1>Institute for Materials Research, Tohoku University</s1>
<s2>Sendai 980-8577</s2>
<s3>JPN</s3>
<sZ>5 aut.</sZ>
<sZ>6 aut.</sZ>
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<country>Japon</country>
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<publicationStmt><idno type="inist">13-0351520</idno>
<date when="2013">2013</date>
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<seriesStmt><idno type="ISSN">0304-8853</idno>
<title level="j" type="abbreviated">J. magn. magn. mater.</title>
<title level="j" type="main">Journal of magnetism and magnetic materials</title>
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<profileDesc><textClass><keywords scheme="KwdEn" xml:lang="en"><term>Density functional method</term>
<term>Doping</term>
<term>Electronic density of states</term>
<term>Exchange interactions</term>
<term>Ferromagnetic materials</term>
<term>Ferromagnetism</term>
<term>Hybridization</term>
<term>Indium oxide</term>
<term>Magnetic semiconductors</term>
<term>Nickel additions</term>
<term>Polycrystals</term>
<term>Saturation magnetization</term>
<term>Superexchange interactions</term>
<term>Vacancies</term>
</keywords>
<keywords scheme="Pascal" xml:lang="fr"><term>Lacune</term>
<term>Ferromagnétisme</term>
<term>Addition nickel</term>
<term>Interaction échange</term>
<term>Densité état électron</term>
<term>Méthode fonctionnelle densité</term>
<term>Interaction superéchange</term>
<term>Hybridation</term>
<term>Aimantation saturation</term>
<term>Dopage</term>
<term>Oxyde d'indium</term>
<term>Matériau ferromagnétique</term>
<term>Semiconducteur magnétique</term>
<term>Polycristal</term>
<term>In2O3</term>
</keywords>
<keywords scheme="Wicri" type="concept" xml:lang="fr"><term>Dopage</term>
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<front><div type="abstract" xml:lang="en">The roles of oxygen vacancies on the electronic and magnetic properties of Ni doped In<sub>2</sub>
O<sub>3</sub>
 have been studied by first-principles calculations based on hybrid functional theory. Our results predict that the Ni-doped In<sub>2</sub>
O<sub>3</sub>
 system displays a ferromagnetic semiconducting character. However, the presence of oxygen vacancies results in antiferromagnetic coupling between the neighboring Ni pair bridged by an oxygen vacancy. The antiferromagnetic coupling is found to arise from the predominant role of superexchange due to the strong Ni 3d-0 2p hybridization. Consequently, the oxygen vacancies play a key role in the lower saturation magnetization of Ni:In<sub>2</sub>
O<sub>3</sub>
 polycrystalline sample, as observed in experiments.</div>
</front>
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O<sub>3</sub>
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<fA11 i1="01" i2="1"><s1>WANG (V.)</s1>
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<sZ>4 aut.</sZ>
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<fA14 i1="03"><s1>Department of Geological Engineering, Lanzhou Resources & Environment Voc-Tech College</s1>
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<sZ>3 aut.</sZ>
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<fA14 i1="04"><s1>Institute for Materials Research, Tohoku University</s1>
<s2>Sendai 980-8577</s2>
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<sZ>6 aut.</sZ>
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O<sub>3</sub>
 have been studied by first-principles calculations based on hybrid functional theory. Our results predict that the Ni-doped In<sub>2</sub>
O<sub>3</sub>
 system displays a ferromagnetic semiconducting character. However, the presence of oxygen vacancies results in antiferromagnetic coupling between the neighboring Ni pair bridged by an oxygen vacancy. The antiferromagnetic coupling is found to arise from the predominant role of superexchange due to the strong Ni 3d-0 2p hybridization. Consequently, the oxygen vacancies play a key role in the lower saturation magnetization of Ni:In<sub>2</sub>
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<s5>19</s5>
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<fC03 i1="15" i2="3" l="FRE"><s0>In2O3</s0>
<s4>INC</s4>
<s5>52</s5>
</fC03>
<fN21><s1>336</s1>
</fN21>
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Roles of oxygen vacancy on ferromagnetism in Ni doped In2O3: A hybrid functional study

Roles of oxygen vacancy on ferromagnetism in Ni doped In2O3: A hybrid functional study

Descripteurs français

English descriptors

Abstract

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Le document en format XML

Pour manipuler ce document sous Unix (Dilib)

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