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Ferromagnetyzm i półmetaliczność w metalach przejściowych

Ferromagnetyzm i półmetaliczność w metalach przejściowych

Yamina Elahmar

90,88 €
IVA incluido
Disponible
Editorial:
KS OmniScriptum Publishing
Año de edición:
2025
Materia
Empresa y gestión
ISBN:
9786209223037
90,88 €
IVA incluido
Disponible

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Sobre IBD

Niniejsza praca badawcza poświęcona jest zagadnieniu ferromagnetyzmu i półmetaliczności w układach zawierających pierwiastek z rodziny metali przejściowych, chrom. Magnetyzm oparty na elektronach 3d metali przejściowych został eksperymentalnie zaobserwowany i/lub teoretycznie przewidziany w wielu materiałach. W tym celu, niniejsza praca jest teoretycznym badaniem opartym na obliczeniach ab-initio w celu zbadania półmetaliczności w dwuskładnikowych materiałach z rodziny Cr-X opartych na pierwiastkach grupy VI (X=S, Se i Te), w pięciu różnych strukturach krystalicznych, trzech strukturach sześciennych, NaCl, CsCl i cynk-blenda (ZB), oraz dwóch strukturach heksagonalnych, wurtzycie (WZ) i NiAs. W naszych obliczeniach zdecydowaliśmy się na pracę w ramach teorii funkcjonału gęstości (DFT) przy użyciu dwóch rodzajów aproksymacji, GGA-PBEsol i mBJ GGA-PBEsol.

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