CobaltMaghrebV1, France, Analysis, bibRecord, 000049

Ab initio investigations of the electronic and magnetic structures of CoH and CoH2

Identifieur interne : 000049 ( France/Analysis ); précédent : 000048; suivant : 000050

Ab initio investigations of the electronic and magnetic structures of CoH and CoH2

Auteurs : R. Riane [Algérie] ; A. Abdiche [Algérie] ; L. Hamerelaine [Algérie] ; M. Guemmou [Algérie] ; N. Ouaini [Liban] ; S. F. Matar [France]

Source :

Solid state sciences [ 1293-2558 ] ; 2013.

RBID : Pascal:13-0279766

Descripteurs français

Pascal (Inist)
- Calcul ab initio, Structure électronique, Structure magnétique, Propriété électronique, Propriété magnétique, Cobalt, Hydrure, Expansion volume, Liaison hydrogène, Densité état, Bande valence, Niveau Fermi, Aimantation, Méthode fonctionnelle densité, Matériau ferromagnétique, Calcul APW, 7118, 7115M, 7115A, 7115.
Wicri :
- topic : Cobalt.

English descriptors

KwdEn :
- APW calculations, Ab initio calculations, Cobalt, Density functional method, Density of states, Electronic properties, Electronic structure, Fermi level, Ferromagnetic materials, Hydrides, Hydrogen bonds, Magnetic properties, Magnetic structure, Magnetization, Valence bands, Volume expansion.

Abstract

First principles investigation of the structural, electronic and magnetic properties study of cobalt and the hydrides CoH_x (x = 1, 2) show significant volume expansion effect versus Co-H bonding. As hydrogen is incorporated in the cobalt lattice, the density of states undergoes gradual modifications within the valence band and particularly near the Fermi level. A resulting strong reduction of magnetization characterizes the dihydride whereas the monohydride is revealed as a strong ferromagnet, like Co.

Affiliations:

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Pascal:13-0279766

Le document en format XML

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<profileDesc><textClass><keywords scheme="KwdEn" xml:lang="en"><term>APW calculations</term>
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<term>Density of states</term>
<term>Electronic properties</term>
<term>Electronic structure</term>
<term>Fermi level</term>
<term>Ferromagnetic materials</term>
<term>Hydrides</term>
<term>Hydrogen bonds</term>
<term>Magnetic properties</term>
<term>Magnetic structure</term>
<term>Magnetization</term>
<term>Valence bands</term>
<term>Volume expansion</term>
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<keywords scheme="Pascal" xml:lang="fr"><term>Calcul ab initio</term>
<term>Structure électronique</term>
<term>Structure magnétique</term>
<term>Propriété électronique</term>
<term>Propriété magnétique</term>
<term>Cobalt</term>
<term>Hydrure</term>
<term>Expansion volume</term>
<term>Liaison hydrogène</term>
<term>Densité état</term>
<term>Bande valence</term>
<term>Niveau Fermi</term>
<term>Aimantation</term>
<term>Méthode fonctionnelle densité</term>
<term>Matériau ferromagnétique</term>
<term>Calcul APW</term>
<term>7118</term>
<term>7115M</term>
<term>7115A</term>
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<front><div type="abstract" xml:lang="en">First principles investigation of the structural, electronic and magnetic properties study of cobalt and the hydrides CoH<sub>x</sub>
 (x = 1, 2) show significant volume expansion effect versus Co-H bonding. As hydrogen is incorporated in the cobalt lattice, the density of states undergoes gradual modifications within the valence band and particularly near the Fermi level. A resulting strong reduction of magnetization characterizes the dihydride whereas the monohydride is revealed as a strong ferromagnet, like Co.</div>
</front>
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Ab initio investigations of the electronic and magnetic structures of CoH and CoH2

Ab initio investigations of the electronic and magnetic structures of CoH and CoH2

Source :

Descripteurs français

English descriptors

Abstract

Links toward previous steps (curation, corpus...)

Links to Exploration step

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