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Ferromagnetismo e semimetallicità nei metalli di transizione

Ferromagnetismo e semimetallicità nei metalli di transizione

Yamina Elahmar

90,88 €
IVA incluido
Disponible
Editorial:
KS OmniScriptum Publishing
Año de edición:
2025
Materia
Empresa y gestión
ISBN:
9786209220470
90,88 €
IVA incluido
Disponible

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Sobre IBD

Questo lavoro di ricerca è dedicato al problema del ferromagnetismo e della semimetallicità in sistemi contenenti un elemento della famiglia dei metalli di transizione, il cromo. Infatti, il magnetismo basato sugli elettroni 3d dei metalli di transizione è stato osservato sperimentalmente e/o previsto teoricamente in un gran numero di materiali. A tal fine, questo studio è un’indagine teorica basata su calcoli ab-initio per l’esplorazione della semimetallicità in materiali binari della famiglia Cr-X basati su elementi del gruppo VI (X=S, Se e Te), in cinque diverse strutture cristalline, tre cubiche, NaCl, CsCl e zinco-blenda (ZB), e due esagonali, wurtzite (WZ) e NiAs. Per i nostri calcoli, abbiamo scelto di lavorare nell’ambito della teoria funzionale della densità (DFT) utilizzando due tipi di approssimazione, GGA-PBEsol e mBJ GGA-PBEsol.

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