DFT study of magneto-volume effects in iron and cobalt nitrides
Identifieur interne : 000099 ( PascalFrancis/Corpus ); précédent : 000098; suivant : 000100DFT study of magneto-volume effects in iron and cobalt nitrides
Auteurs : Abdesalem Houari ; Samir F. Matar ; Mohamed A. BelkhirSource :
- Journal of magnetism and magnetic materials [ 0304-8853 ] ; 2010.
Descripteurs français
- Pascal (Inist)
English descriptors
- KwdEn :
Abstract
Largely investigated, both theoretically and experimentally, the iron-nitrogen system (Fe-N) shows large magneto-volume effects, where N element plays an important role. On the other side, the cobalt-nitrogen (Co-N) system magnetic properties are less known. We present here a first principles comparative study, within density functional theory framework of these two systems in order to get further insights into the role of nitrogen within these insertion alloys. The properties of the cobalt nitride are firstly discussed with respect to Fe-N ones, and then the two systems are treated within Slater-Pauling-Friedel model whose limitations are shown.
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NO : | PASCAL 10-0168558 INIST |
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ET : | DFT study of magneto-volume effects in iron and cobalt nitrides |
AU : | HOUARI (Abdesalem); MATAR (Samir F.); BELKHIR (Mohamed A.) |
AF : | Laboratoire de Physique Théorique, Département de Physique, Université de Bejaia/06000 Bejaia/Algérie (1 aut., 3 aut.); CNRS, Université de Bordeaux, ICMCB, 87 avenue du Docteur Albert Schweitzer/33608 Pessac/France (2 aut.) |
DT : | Publication en série; Niveau analytique |
SO : | Journal of magnetism and magnetic materials; ISSN 0304-8853; Coden JMMMDC; Pays-Bas; Da. 2010; Vol. 322; No. 6; Pp. 658-660; Bibl. 19 ref. |
LA : | Anglais |
EA : | Largely investigated, both theoretically and experimentally, the iron-nitrogen system (Fe-N) shows large magneto-volume effects, where N element plays an important role. On the other side, the cobalt-nitrogen (Co-N) system magnetic properties are less known. We present here a first principles comparative study, within density functional theory framework of these two systems in order to get further insights into the role of nitrogen within these insertion alloys. The properties of the cobalt nitride are firstly discussed with respect to Fe-N ones, and then the two systems are treated within Slater-Pauling-Friedel model whose limitations are shown. |
CC : | 001B70E10L |
FD : | Méthode fonctionnelle densité; Effet magnétovolume; Propriété magnétique; Structure électronique; Calcul ASW; Densité état électron; Nitrure de cobalt; Nitrure de fer |
ED : | Density functional method; Magnetovolume effect; Magnetic properties; Electronic structure; ASW calculations; Electronic density of states; Cobalt nitride; Iron nitride |
SD : | Cobalto nitruro; Hierro nitruro |
LO : | INIST-17230.354000181677350160 |
ID : | 10-0168558 |
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Pascal:10-0168558Le document en format XML
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<ET>DFT study of magneto-volume effects in iron and cobalt nitrides</ET>
<AU>HOUARI (Abdesalem); MATAR (Samir F.); BELKHIR (Mohamed A.)</AU>
<AF>Laboratoire de Physique Théorique, Département de Physique, Université de Bejaia/06000 Bejaia/Algérie (1 aut., 3 aut.); CNRS, Université de Bordeaux, ICMCB, 87 avenue du Docteur Albert Schweitzer/33608 Pessac/France (2 aut.)</AF>
<DT>Publication en série; Niveau analytique</DT>
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<EA>Largely investigated, both theoretically and experimentally, the iron-nitrogen system (Fe-N) shows large magneto-volume effects, where N element plays an important role. On the other side, the cobalt-nitrogen (Co-N) system magnetic properties are less known. We present here a first principles comparative study, within density functional theory framework of these two systems in order to get further insights into the role of nitrogen within these insertion alloys. The properties of the cobalt nitride are firstly discussed with respect to Fe-N ones, and then the two systems are treated within Slater-Pauling-Friedel model whose limitations are shown.</EA>
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