Influence of varying Germanium content on the optical function dispersion of Fe2MnSixGe1-x: An ab initio study

Result code in IS VaVaI
<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F60076658%3A12520%2F13%3A43885107" target="_blank" >RIV/60076658:12520/13:43885107 - isvavai.cz</a>
Result on the web
<a href="http://www.sciencedirect.com/science/article/pii/S0304885312007536" target="_blank" >http://www.sciencedirect.com/science/article/pii/S0304885312007536</a>
DOI - Digital Object Identifier
<a href="http://dx.doi.org/10.1016/j.jmmm.2012.09.012" target="_blank" >10.1016/j.jmmm.2012.09.012</a>

Result language
angličtina
Original language name
Influence of varying Germanium content on the optical function dispersion of Fe2MnSixGe1-x: An ab initio study
Original language description
The optical dielectric functions of Fe2MnSi1-xGex alloys for selected concentrations (x=0.0, 0.25, 0.5, 0.75 and 1.0) were investigated. The ferromagnetic Fe2MnSixGe1-x is semiconducting with optical band gaps 0.507, 0.531, 0.539, 0.514 and 0.547 eV forthe minority spin and is metallic for the majority spin. From the calculated results the half-metallic character and stability of ferromagnetic state for Fe2MnSixGe1-x is determined. The total magnetic moment is found to be 3.0 mu(B) for all alloys withthe most contribution from Mn local magnetic moments. Iron atoms however exhibit much smaller spin moments, about 10% of the bulk value, and the sp atoms have induced magnetic moments due to the proximity of Fe first nearest neighbors, which couple antiferromagnetically with Fe and Mn spin moments. We have employed full-potential linearized augmented plane wave method based on spin-polarized density functional theory. The generalized gradient approximation exchange-correlation potential
Czech name
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Czech description
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Type
J<sub>x</sub> - Unclassified - Peer-reviewed scientific article (Jimp, Jsc and Jost)
CEP classification
BH - Optics, masers and lasers
OECD FORD branch
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Project
<a href="/en/project/ED2.1.00%2F01.0024" target="_blank" >ED2.1.00/01.0024: South Bohemian Research Center of Aquaculture and Biodiversity of Hydrocenoses</a><br>
Continuities
P - Projekt vyzkumu a vyvoje financovany z verejnych zdroju (s odkazem do CEP)

Publication year
2013
Confidentiality
S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů

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