Optical properties of Fe2NiAl and Fe2MnAl Heusler alloys

Shreder, E. I.; Svyazhin, Artem; Fomina, K.A.

doi:10.1134/s0031918x12020135

Cited by 25 publications

(7 citation statements)

References 14 publications

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“…However, the density of states of each pair of compounds are qualitatively similar. The highlights of the electronic structure in both Fe 2 CrAl [65] and Fe 2 MoAl are a pseudogap in the spin-up band and a gap cutting through the Fermi level in the spindown band, although in case of Fe 2 MoAl, it is more like a pseudo gap reducing its spin polarization. This difference in the electronic structure once again stems from the availability of states near and at Fermi level in case of the Fe 2 MoAl, presumably because of the hybridizations of Fe with delocalized Mo states.…”

Section: Exchange Interactions and Curie Temperaturementioning

confidence: 99%

Systematic understanding of half-metallicity of ternary compounds in Heusler and Inverse Heusler structures with 3d and 4d elements

Ghosh¹,

Ghosh²

2019

Phys. Scr.

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Employing ab initio electronic structure calculations we extensively study ternary Heusler compounds having the chemical formula X2X Z, where X = Mn, Fe or Co; Z = Al or Si; and X changes along the row of 4d transition metals. A comprehensive overview of these compounds, addressing the trends in structural, electronic, magnetic properties and Curie temperature is presented here along with the search for new materials for spintronics applications. A simple picture of hybridization of the d orbitals of the neighboring atoms is used to explain the origin of the half-metallic gap in these compounds. We show that arrangements of the magnetic atoms in different Heusler lattices are largely responsible for the interatomic exchange interactions that are correlated with the features in their electronic structures as well as possibility of half-metallicity. We find seven half-metallic magnets with 100% spin polarization. We identify few other compounds with high spin polarisation as "near half-metals" which could be of potential use in applications as well. We find that the major features in the electronic structures remain intact if a 3d X constituent is replaced with an isoelectronic 4d, implying that the total number of valence electrons can be used as a predictor of half-metallic nature in compounds from Heusler family.

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Section: Exchange Interactions and Curie Temperaturementioning

confidence: 99%

Systematic understanding of half-metallicity of ternary compounds in Heusler and Inverse Heusler structures with 3d and 4d elements

Ghosh¹,

Ghosh²

2019

Phys. Scr.

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“…7 Optical and MO properties of a number of half-metallic FHA's have been investigated theoretically and experimentally. [8][9][10][11][12][13][14][15][16][17] It has been shown that the predictions significantly depend on the calculation methods employed. 12,17 At the same time, the experimental optical and MO properties of the HA's are often quite difficult to explain without first-principle calculations.…”

Section: Introductionmentioning

confidence: 99%

Electronic structure, optical and magnetic properties of Co2FeGe Heusler alloy films

Uvarov

Kudryavtsev

Kravets

et al. 2012

Journal of Applied Physics

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Optical properties of ferromagnetic half-metallic full-Heusler Co 2 FeGe alloy are investigated experimentally and theoretically. Co 2 FeGe thin films were obtained by DC magnetron sputtering and show the saturation magnetization at T =10 K of m ≈5.6 µ B /f.u., close to the value predicted by the Slater-Pauling rule. First-principles calculations of the electronic structure and the dielectric tensor are performed using the fullpotential linearized-augmented-plane-wave method in the generalized gradient (GGA) and GGA+U approximations. The measured interband optical conductivity spectrum for the alloy exhibits a strong absorption band in the 1 -4 eV energy range with pronounced fine structure, which agrees well with the calculated half-metallic spectrum of the system, suggesting a near perfect spin-polarization in the material.

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“…Optical properties of Ni, Co, and Fe based HA have been widely investigated theoretically and experimentally [2,[4][5][6][7][8]. The most comprehensive experimental study of various bulk HAs has been carried out by Shreder et al [9][10][11][12][13][14]. However, only a few publications have been focused on the study of the effect of structural transformations in HA on their optical properties and hence the electronic structure.…”

Section: Introductionmentioning

confidence: 99%

Optical properties of Fe–Mn–Ga alloys

Kudryavtsev

Uvarov

Dubowik

2019

J. Phys.: Condens. Matter

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The first-principles calculations of the electronic structures and the interband optical conductivity (OC) spectra have been performed for the stoichiometric Fe 2 MnGa alloy with L2 1 and L1 2 types of atomic ordering. The calculated optical properties of Fe 2 MnGa alloy for the L2 1 and L1 2 phases are complemented by the experimental OC spectra for bulk and thin film Fe-Mn-Ga alloy samples near the stoichiometry 2:1:1 with L2 1 and L1 2 (for bulks) as well as the body-centered-cubic and face-centeredcubic (for films) structures, respectively. A reasonable agreement between experimental and calculated interband OC spectra was obtained for both phases of the alloy. The experimental data show no significant difference in the OC spectra with respect to the degrees of atomic and magnetic orders of the samples.

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Optical properties of Fe2NiAl and Fe2MnAl Heusler alloys

Cited by 25 publications

References 14 publications

Systematic understanding of half-metallicity of ternary compounds in Heusler and Inverse Heusler structures with 3d and 4d elements

Systematic understanding of half-metallicity of ternary compounds in Heusler and Inverse Heusler structures with 3d and 4d elements

Electronic structure, optical and magnetic properties of Co2FeGe Heusler alloy films

Optical properties of Fe–Mn–Ga alloys

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