DAFS - Universidad de Zaragoza

DAFS - Universidad de Zaragoza DAFS - Universidad de Zaragoza

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Conclusiones Medidas a RT Fe2+ Fe3+ e τhopping >> τRayos-X ≈ 10-15 El DAFS nos proporciona por primera vez evidencia DIRECTA sobre el estado electrónico del Fe. El DAFS de las reflexiones prohibidas se interpreta perfectamente en el esquema de la anisotropía del f (ATS) Los sitios del Fe octaédrico, considerados tradicionalmente fluctuantes entre dos estados de valencia Fe2+ y Fe3+, son electronicamente IDENTICOS s No hay fluctuación de carga para T>Tc Medidas a baja T Misma dependencia en E y en f para T

Grazing Incidence Diffraction Anomalous Fine Structure (GIDAFS) 1) 2D FEM similations to fit the anomalous diffraction data, including DAFS line shape (β, ∆φ), can give the true structure : shape, size strain and composition ε xx ε zz Simulation of As 1-x P x composition in the wires lead to x ~ 0 Chemical composition ? Diffraction Intensity Intensity (a.u.) Tedious task, not always successful ! 80 70 60 50 40 30 2) Energy scan, fixed Q : max. of F A (h=k=3.98, l=1.9) Diffraction selected local structure : • lattice strain accomodation • composition 11,7 11,8 11,9 12 Energy (keV) E(keV) As K-edge BM2, ESRF

Grazing Inci<strong>de</strong>nce Diffraction Anomalous Fine Structure (GI<strong>DAFS</strong>)<br />

1) 2D FEM similations to fit<br />

the anomalous diffraction<br />

data, including <strong>DAFS</strong> line<br />

shape (β, ∆φ), can give the<br />

true structure : shape,<br />

size strain and composition<br />

ε xx<br />

ε zz<br />

Simulation of As 1-x P x composition<br />

in the wires lead to x ~ 0<br />

Chemical composition ?<br />

Diffraction Intensity Intensity (a.u.)<br />

Tedious task, not always successful !<br />

80<br />

70<br />

60<br />

50<br />

40<br />

30<br />

2) Energy scan, fixed Q : max.<br />

of F A (h=k=3.98, l=1.9)<br />

Diffraction selected local structure :<br />

• lattice strain accomodation<br />

• composition<br />

11,7 11,8 11,9 12<br />

Energy (keV)<br />

E(keV)<br />

As K-edge BM2, ESRF

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