Anharmonic effective potential and XAFS cumulants for hcp crystals containing dopant atom
Main Article Content
Abstract
A nevv procedure for calculation and analysis of XAFS (X-ray Absorption Fine
Structure) cumulants of hcp crystals containing dopant atom has been derived based on quantum
statistical theory with generalized anharmonic corTelated Einstein model. Analytical expressions
for eíĩective local force constants, correlated Einstein frequency and temperature, first cumulant or
net thermal expansion, second cumulant or Debye Waller factor and third cumulant of hcp 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 agreement with experiment.
References
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