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Tetrahedral versus octahedral Mn site coordination in wurtzite and rocksalt Zn1−xMnxO investigated by means of XAS experiments under high pressure
Authors:J Pellicer-Porres  A Segura  JF Snchez-Royo  JA Sans  JP Iti  AM Flank  P Lagarde  A Polian
Institution:aICMUV, Universidad de Valencia, c/Dr. Moliner 50, 46100 Burjassot, Valencia, Spain;bSynchrotron SOLEIL, L’ Orme des Merisiers, Saint-Aubin - BP 48 91192, Gif-sur-Yvette CEDEX, France;cPhysique des Milieux Denses, IMPMC, Université Pierre et Marie Curie, 140 Boulevard de Lourmel, 75015 Paris, France
Abstract:We present the results of x-ray absorption measurements carried out in Zn1−xMnxO thin films under high pressure. The Mn environment remains essentially the same for nominal Mn concentrations given by x=0.05, 0.1, 0.15 and 0.25. Both the XANES (X-ray Absorption Near Edge Structure) and EXAFS (Extended X-ray Absorption Fine Structure) indicate that Mn occupies the Zn site, being surrounded by four oxygen atoms at 2.02±0.01 Å. The substitutional hypothesis is reinforced by comparing the differences between the ambient (wurtzite) and high pressure (rocksalt) spectra, which correspond to tetrahedral and octahedral Mn environments.
Keywords:ZnO  XAS  High pressure  XANES  EXAFS  XAFS
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