Ab initio study of Fe2MnZ (Al, Si, Ge) Heusler alloy using GGA approximation

Ab initio study of Fe2MnZ (Al, Si, Ge) Heusler alloy using GGA approximation

Density functional theory based on FP-LAPW method used to investigate the electronic structure of Fe2MnZ, shows that the total spin magnetic moment shows a trend consistent with the Slater–Pauling curve. The Fe and Mn magnetic moment depend on choice of Z element although the magnetic moment of Z el...

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Bibliographische Detailangaben
Hauptverfasser: Jain, Vivek Kumar, Jain Vishal, Lakshmi, N, Venugopalan, K
Format: Tagungsbericht
Sprache:eng ; jpn
Schlagworte:
Density functional theory
Electronic structure
Electrons
Germanium
Heusler alloys
Magnetic moments
Manganese
Polarization (spin alignment)
Silicon
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Zusammenfassung:Density functional theory based on FP-LAPW method used to investigate the electronic structure of Fe2MnZ, shows that the total spin magnetic moment shows a trend consistent with the Slater–Pauling curve. The Fe and Mn magnetic moment depend on choice of Z element although the magnetic moment of Z element is negative and less than 0.1 μB. Spin polarization calculations evidence 100% spin polarization for Fe2MnSi. Fe2MnAl and Fe2MnGe show metallic behavior with 93%, 98% spin polarization.
ISSN:0094-243X
1551-7616
DOI:10.1063/1.4872877