ArticleAuthors: Nguyen, Van Hung; Le, Thi Thuy Hau; Tong, Sy Tien (2007)
A new procedure for calculation and analysis of XAFS (X-ray Absorption Fine Structure) cumulants of hep crystals containing dopant atom has been derived based on quantum statistical theory with generalized anharmonic correlated Einstein model. Analytical expressions for effective local force constants, correlated Einstein frequency and temperature, first cumulant or net thermal expansion, second cumulant or Debye Waller factor and third cumulant of hep crystals containing dopant atom have been derived. Morse potential parameters of pure crystals and those with dopant included in the derived expressions have been calculated. Numerical results for Zn doped by Cd are found to be in good ... 
