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Electronic structure, optical and magnetic properties of Co$_{2}$FeGe Heusler alloy films

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TLDR
In this paper, the optical properties of a half-metallic full-Heusler Co$2}$FeGe alloy were investigated experimentally and theoretically, and first-principles calculations of the electronic structure and the dielectric tensor were performed using the full-potential linearized-augmented-plane-wave method in the generalized gradient (GGA) and GGA+U approximations.
Abstract
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\approx$5.6 $\mu_{B}$/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 full-potential 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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Journal ArticleDOI

Electronic and magnetic properties of the Co2-based Heusler compounds under pressure: first-principles and Monte Carlo studies

TL;DR: In this article, structural, magnetic and electronic properties of stoichiometric Co2 YZ Heusler alloys have been studied by means of ab initio calculations and Monte Carlo simulations.
Journal ArticleDOI

Large magnetocrystalline anisotropy in tetragonally distorted Heuslers: a systematic study

TL;DR: In this article, the authors explore the possibility of large magnetocrystalline anisotropy energies in Heusler compounds that are unstable with respect to a tetragonal distortion.
Journal ArticleDOI

Study of electronic, magnetic, optical and elastic properties of Cu2MnAl a gapless full Heusler compound

TL;DR: The full potential linearized augmented plane wave method with the generalized gradient approximation (FPLAPW-GGA) has been used to understand the electronic, magnetic, optical and elastic properties of Cu2MnAl a full-Heusler compound as mentioned in this paper.
Journal ArticleDOI

Theoretical investigation of the structural, magnetic and band structure characteristics of Co2FeGe1−xSix (x = 0, 0.5, 1) full-Heusler alloys

TL;DR: In this paper, the structural, magnetic and electronic properties of the Co2FeGe1−x 1.5Si0.5, 1) Heusler compounds have been calculated using the full-potential linearized augmented plane-wave method within the spin density functional theory within the generalized gradient approximation of Perdew-Burke-Ernzerhof.
Journal ArticleDOI

Effect of Disorder on Electronic, Magnetic, and Optical Properties of Co2CrZ Heusler Alloys (Z = Al, Ga, Si, Ge)

TL;DR: In this article, the effect of disorder on electronic, magnetic, and optical properties of Co2CrZ (Z = Al, Si, Ga, Ge) Heusler alloy using density functional theory is presented.
References
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Journal ArticleDOI

Generalized Gradient Approximation Made Simple

TL;DR: A simple derivation of a simple GGA is presented, in which all parameters (other than those in LSD) are fundamental constants, and only general features of the detailed construction underlying the Perdew-Wang 1991 (PW91) GGA are invoked.
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Simple rules for the understanding of Heusler compounds

TL;DR: Heusler compounds as discussed by the authors are a remarkable class of intermetallic materials with 1:1:1 or 2:1-1 composition comprising more than 1500 members, and their properties can easily be predicted by the valence electron count.
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Full-potential self-consistent linearized-augmented-plane-wave method for calculating the electronic structure of molecules and surfaces: O 2 molecule

TL;DR: In this article, the authors generalized the linearized-augmented-plane-wave (LAPW) method for thin films by removing the remaining shape approximation to the potential inside the atomic spheres, and implemented a new technique for solving Poisson's equation for a general charge density and potential is described and implemented in the film LAPW method.
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Magneto-optical properties of metallic ferromagnetic materials

TL;DR: In this article, the magneto-optical Kerr rotation in more than 200 metallic systems comprising alloys as well as intermetallic compounds of 3D transition metals was studied and the saturation moment at 4.2 K was determined.
Journal ArticleDOI

Calculated electronic and magnetic properties of the half-metallic, transition metal based Heusler compounds

TL;DR: In this paper, results of ab initio band structure calculations for A2BC Heusler compounds that have A and B sites occupied by transition metals and C by a main group element are presented.
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