Improved Dopant Fraction Variance Estimation in Statistical ALCHEMI Based on Correct Error Propagation Rule.

Abstract

This report revisits the statistical atom location by channeling enhanced microanalysis (St-ALCHEMI) method, correcting the dopant site occupancy error by applying an appropriate error propagation rule. A revised equation for calculating the uncertainty in the determined dopant fractions is proposed. The revised equation is expected to correct the uncertainty in the determined dopant fractions, which is particularly significant in cases of low dopant concentrations and variable dopant occupancies across inequivalent host atomic sites. The approach is validated using Eu-doped Ca2SnO4 as a typical model system.