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

Kód výsledku v 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>

Výsledek na webu

<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>

Jazyk výsledku

angličtina

Název v původním jazyce

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

Popis výsledku v původním jazyce

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

Název v anglickém jazyce

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

Popis výsledku anglicky

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

Druh

J_x - Nezařazeno - Článek v odborném periodiku (Jimp, Jsc a Jost)

CEP obor

BH - Optika, masery a lasery

OECD FORD obor

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Projekt

<a href="/cs/project/ED2.1.00%2F01.0024" target="_blank" >ED2.1.00/01.0024: Jihočeské výzkumné centrum akvakultury a biodiverzity hydrocenóz</a><br>

Návaznosti

P - Projekt vyzkumu a vyvoje financovany z verejnych zdroju (s odkazem do CEP)

Rok uplatnění

2013

Kód důvěrnosti údajů

S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů

Název periodika

Journal of Magnetism and Magnetic Materials

ISSN

0304-8853

e-ISSN

—

Svazek periodika

326

Číslo periodika v rámci svazku

Neuveden

Stát vydavatele periodika

NL - Nizozemsko

Počet stran výsledku

7

Strana od-do

210-216

Kód UT WoS článku

000310916000036

EID výsledku v databázi Scopus

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