NickelMaghrebV1, Main, Exploration, bibRecord, 000268

Spin-polarized structural, electronic and magnetic properties of intermetallic Dy2Ni2Pb from computational study

Identifieur interne : 000268 ( Main/Exploration ); précédent : 000267; suivant : 000269

Spin-polarized structural, electronic and magnetic properties of intermetallic Dy2Ni2Pb from computational study

Auteurs : Omar Arbouche [Algérie] ; Yahia Azzaz [Algérie] ; Hanifi Bendaoud [Algérie] ; Berrzoug Belgoumene [Algérie] ; Mohamed Driz [Algérie] ; Hamza Abid [Algérie]

Source :

Physica. B, Condensed matter [ 0921-4526 ] ; 2012.

RBID : Pascal:12-0185575

Descripteurs français

Pascal (Inist)
- Spin polarisé, Densité état électron, Structure cristalline, Méthode fonctionnelle densité, Transformation phase, Calcul APW, Densité spin, Energie libre Gibbs, Interaction échange, Approximation gradient généralisé, Moment magnétique, Composé intermétallique, Réseau orthorhombique, Dysprosium alliage, Nickel alliage, Plomb alliage, Métal transition alliage.

English descriptors

KwdEn :
- APW calculations, Crystal structure, Density functional method, Dysprosium alloys, Electronic density of states, Exchange interactions, Generalized gradient approximation, Gibbs free energy, Intermetallic compounds, Lead alloys, Magnetic moments, Nickel alloys, Orthorhombic lattices, Phase transformations, Polarized spin, Spin density, Transition element alloys.

Abstract

We report a first-principles study of structural, electronic and magnetic properties of ternary plumbides (rare earth-transition metal-Plumb) Dy₂Ni₂Pb crystallizes with the orthorhombic structure of the Mn₂AlB₂ type (space group Cmmm), were studied by means of the full-relativistic version of the full-potential augmented plane wave plus local orbital method within the frame work of spin-polarized density functional theory (SP-DFT). The electronic exchange-correlation energy is described by generalized gradient approximation (GGA). We have calculated the lattice parameters, bulk modulii and the first pressure derivatives of the bulk modulii, total densities of states and magnetic properties. The calculated total magnetic moment is found to be equal to 9.52 μB.

Affiliations:

Algérie

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Le document en format XML

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<front><div type="abstract" xml:lang="en">We report a first-principles study of structural, electronic and magnetic properties of ternary plumbides (rare earth-transition metal-Plumb) Dy<sub>2</sub>
Ni<sub>2</sub>
Pb crystallizes with the orthorhombic structure of the Mn<sub>2</sub>
AlB<sub>2</sub>
 type (space group Cmmm), were studied by means of the full-relativistic version of the full-potential augmented plane wave plus local orbital method within the frame work of spin-polarized density functional theory (SP-DFT). The electronic exchange-correlation energy is described by generalized gradient approximation (GGA). We have calculated the lattice parameters, bulk modulii and the first pressure derivatives of the bulk modulii, total densities of states and magnetic properties. The calculated total magnetic moment is found to be equal to 9.52 μB.</div>
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Spin-polarized structural, electronic and magnetic properties of intermetallic Dy2Ni2Pb from computational study

Spin-polarized structural, electronic and magnetic properties of intermetallic Dy2Ni2Pb from computational study

Source :

Descripteurs français

English descriptors

Abstract

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

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