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Real time and real space analysis for coherent QENS and its application to liquid bismuth

Kikuchi, Tatsuya*  ; Kawakita, Yukinobu  

Real time and real space analysis for quasielastic neutron scattering (QENS) by means of the regularization method to estimate a spectrum has been developed. In our formalism, a mediation function between a dynamic structure factor, $$S(Q,omega)$$, and a time-space correlation function, $$P(r,t)$$,is estimated to minimize the sum of the least square fitting term for $$S(Q,omega)$$ in a $$Q-omega$$ space and the regularization term for $$P(r,t)$$ in a $$r-t$$ space. On the application to liquid bismuth which shows complicate static local structure, it is shown that a distribution function for Gaussian superposition to represent $$S(Q,omega)$$ has good characters as a mediating function. The $$S(Q,omega)$$ calculated from the estimated mediation function showed a good agreement with the experimental $$S_{exp}(Q,omega)$$ even for small acoustic phonon excitation in a low $$Q$$ region and gave more or less reasonable estimation of dynamic structure beyond the measured $$Q-omega$$ range. In addition of the main property of $$P(r,t)$$ that the ability to focus onto the relaxation process at a specific atomic distance helped us to understand a complicated layered structure in liquid bismuth, possibility of easy separation of self-diffusion from coherent QENS is shown.

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Category:Physics, Condensed Matter

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