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ÉDITIONS UNIVERSITAIRES EUROPÉENNES Étude ab initio du semi-conducteur magnétique dilué PbMnS

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Description

La nanotechnologie a attiré l’attention des chercheurs ; pour cela, la spintronique a été intégrée dans plusieurs travaux, et elle a permis plusieurs avancées dans le développement des matériaux. Ce concept est basé sur les semi-conducteurs magnétiques dilués (DMS).Dans ce travail, les outils de simulation de type ab initio, selon l’approche DFT, ont été utilisés, avec l’application de la méthode des ondes planes augmentées linéarisées (FP-LAPW), afin d’étudier les propriétés structurales et électroniques du composé PbS, qui se cristallise dans la structure NaCl, suivant l’approximation du gradient généralisé (GGA).À cet effet, les approximations GGA-PBE, GGA+U et mBJ-GGA ont été appliquées pour déterminer les propriétés structurales, électroniques et magnétiques du PbMnS, avec une étude comparative entre les structures électroniques, les densités d’états totales et partielles, ainsi que les moments magnétiques locaux et totaux. Ces moments ont été calculés par les approximations GGA et GGA+U.En résultat, l’énergie de séparation d’échange de spin des états 3d des métaux de transition a été déterminée.

Product Specifications

Format
paperback
Domain
Amazon UK
Release Date
20 February 2026
Listed Since
18 March 2026

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