4.3 Article

Lattice Dynamics of LaFeAsO1-xFx and PrFeAsO1-y via Inelastic X-Ray Scattering and First-Principles Calculation

Journal

JOURNAL OF THE PHYSICAL SOCIETY OF JAPAN
Volume 77, Issue 10, Pages -

Publisher

PHYSICAL SOC JAPAN
DOI: 10.1143/JPSJ.77.103715

Keywords

phonon density of states; dispersion relation; softening; iron-based superconductor; inelastic x-ray scattering; first-principles calculation

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The lattice dynamics of LaFeAsO1-xFx (x = 0, 0.1) and PrFeAsO1-y (y similar to 0.1) are investigated using inelastic x-ray scattering and ab-initio calculation. Measurements of powder samples provide an approximation to the phonon DOS, while dispersion is measured from a single crystal of PrFeAsO1-y. A model that agrees reasonably well with all of the data at room temperature is built from results of ab-initio calculations by reducing the strength of the Fe-As bond by 30%.

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