Local structure of condensed Zinc Oxide
Résumé
The high pressure local structure of zinc oxide has been studied at room temperature using combined energy dispersive X-ray diffraction and X-ray absorption spectroscopy experiments. The structural parameter u and the lattice parameters ratio c a of the wurtzite phase is given as function of pressure and compared with results from ab-initio calculations based on a plane wave pseudopotential method within the density functional theory. In good agreement with present calculations, our experimental data do not show any variation of u(P) in the low-pressure wurtzite phase between 0 and 9 GPa, pressure at which the phase transition to the rocksalt phase occurs. In view of these results, theoretical models identifying the wurtzite-to-rocksalt transition as an homogeneous path are discussed.
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