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Journal of Materials Science
Erschienen in: Journal of Materials Science 11/2017

27.02.2017 | Original Paper

Electronic structure, magnetic and optical properties of quaternary Fe2−x Co x MnAl Heusler alloys

verfasst von: Vivek Kumar Jain, N. Lakshmi, Rakesh Jain, Vishal Jain, Aarti R. Chandra, K. Venugopalan

Erschienen in: Journal of Materials Science | Ausgabe 11/2017

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Abstract

Full-potential linearized augmented plane-wave method is used to calculate electronic structure of L21-ordered Fe2MnAl Heusler alloy within WIEN2k code. Exchange correlation is treated using generalized gradient approximation which gives the nearest values to experimental results of lattice constant. On doping Co at Fe site in Fe2MnAl in the series Fe2−x Co x MnAl, nearly 100% spin polarization is realized for x = 0.5, 1 and 1.5 and half-metallic behavior is observed with band gap of ~0.5 eV in minority spin bands. Total magnetic moment increases linearly with increase in value of x and follows the Slater–Pauling curve. Trends of optical conductivity, real and imaginary parts of the dielectric function, reflectivity, energy loss, refractive index, absorption and extinction coefficient with increasing concentration of Co and with incident photon energy point to possible use in solar cell devices and as shielding materials for electromagnetic radiation extending from visible to far UV range.
Vorheriger Artikel Understanding the effects of Poisson’s ratio on the shear band behavior and plasticity of metallic glasses
Nächster Artikel Erratum to: Application of ionic liquid to a high-performance calcium-resistant additive for filtration control of bentonite/water-based drilling fluids

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Metadaten
Titel
Electronic structure, magnetic and optical properties of quaternary Fe2−x Co x MnAl Heusler alloys
verfasst von
Vivek Kumar Jain
N. Lakshmi
Rakesh Jain
Vishal Jain
Aarti R. Chandra
K. Venugopalan
Publikationsdatum
27.02.2017
Verlag
Springer US
Erschienen in
Journal of Materials Science / Ausgabe 11/2017
Print ISSN: 0022-2461
Elektronische ISSN: 1573-4803
DOI
https://doi.org/10.1007/s10853-017-0918-8

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