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  • Authors: Nguyen, Van Hung; Tran, Trung Dung; Nguyen, Cong Toan (2004)

  • A new procedure for description and calculation of the interaction potential and force constants for fee crystals containing an arbitrary number n of impurity atoms have been developed. Analytical expressions for the effective atomic interaction potential, the single-bond and effective spring constants have been derived. They depend on the number of the impurity atoms and approach those derived by using anharmonic correlated Einstein model, if all the impurity atoms are taken out or they replace all the host atoms. Numerical results for Ni doped by Cu atoms show significant changes of the interact on potential and spring constants of the substance if the number of impurity atoms is changed.

  • Article


  • Authors: Nguyen, Van Hung; Tran, Trung Dung; Nguyen, Cong Toan (2006)

  • A new procedure for description and calculation of th EXAFS (Extended X-ray Absorption Fine Structure) cumulants for fee crystals containing an abitrary number n of dopant atoms have been developed. Analytical expressions for the l 8t, 2nd and 3rd cumulants have been derived.They depend on the number of dopant atoms and approach those derived by anharmonic correlated Einstein model, if all dopant atoms are taken out or replacing all the host atoms. Numerical results for Cu doped by Ni atoms based on the Morse potential show significant dependence of thermodynamic parameters of the substance on the number of dopant atoms and a reasonable agreement with experiment.