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X-ray phase measurements as a probe of small structural changes in doped nonlinear optical crystals

2010; Wiley; Volume: 44; Issue: 1 Linguagem: Inglês

10.1107/s0021889810042391

1600-5767

Sérgio L. Morelhão, C.M.R. Remédios, Raul O. Freitas, Adenílson O. dos Santos,

Nonlinear Optical Materials Research

X-ray multiple diffraction experiments with synchrotron radiation were carried out on pure and doped nonlinear optical crystals: NH 4 H 2 PO 4 and KH 2 PO 4 doped with Ni and Mn, respectively. Variations in the intensity profiles were observed from pure to doped samples, and these variations correlated with shifts in the structure factor phases, also known as triplet phases. This result demonstrates the potential of X-ray phase measurements to study doping in this type of single crystal. Different methodologies for probing structural changes were developed. Dynamical diffraction simulations and curve fitting procedures were also necessary for accurate phase determination. Structural changes causing the observed phase shifts are discussed.