Ab initio study of the magnetic order of some Gadolinium based compounds / Abismail Zakri

Public ISBD Titre : Ab initio study of the magnetic order of some Gadolinium based compounds Type de document : texte manuscrit Auteurs : Abismail Zakri, Auteur ; Bachir Bentria, Directeur de thèse Editeur : Laghouat : Université Amar Telidji - Département des sciences de la matière Année de publication : 2018 Importance : 42 p. Format : 30 cm. Accompagnement : 1 disque optique numérique (CD-ROM) Note générale : Option : Physique des matériaux Langues : Anglais (eng) Mots-clés : Density functional theory  DFT  Exchange parameter  Ferromagnetic(FM)  Antiferromagnetic(AFM) Résumé : The main purpose of our study is to predict the magnetic ordering in some binary gadolinium based compounds, namely; GdN, GdB2, GdAl2, GdAl. In our calculation we used the pseudo potential method and LSDA, GGA and LSDA+U for Exchange and correlation interactions. Magnetic exchange interactions between first and second-nearest neighbors J1 and J2 respectively are derived from total-energy differences different magnetic configurations, then we used these exchange parameters to predict Curie-Weiss and Neel temperatures within mean field theory. These temperatures are compared with experimental data or others theoretical predictions. GdN, GdB2, GdAl2, GdAl are found to be ferromagnetic. note de thèses : Mémoire de master en physique Ab initio study of the magnetic order of some Gadolinium based compounds [texte manuscrit] / Abismail Zakri, Auteur ; Bachir Bentria, Directeur de thèse . - Laghouat : Université Amar Telidji - Département des sciences de la matière, 2018 . - 42 p. ; 30 cm. + 1 disque optique numérique (CD-ROM). Option : Physique des matériaux Langues : Anglais (eng) Mots-clés : Density functional theory  DFT  Exchange parameter  Ferromagnetic(FM)  Antiferromagnetic(AFM) Résumé : The main purpose of our study is to predict the magnetic ordering in some binary gadolinium based compounds, namely; GdN, GdB2, GdAl2, GdAl. In our calculation we used the pseudo potential method and LSDA, GGA and LSDA+U for Exchange and correlation interactions. Magnetic exchange interactions between first and second-nearest neighbors J1 and J2 respectively are derived from total-energy differences different magnetic configurations, then we used these exchange parameters to predict Curie-Weiss and Neel temperatures within mean field theory. These temperatures are compared with experimental data or others theoretical predictions. GdN, GdB2, GdAl2, GdAl are found to be ferromagnetic. note de thèses : Mémoire de master en physique

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Code-barres	Cote	Support	Localisation	Section	Disponibilité
MP 01-51	MP 01-51	Thése	BIBLIOTHEQUE DE FACULTE DES SCIENCES	théses (sci)	Disponible

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