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2000-09-19. Activation energy for oxygen migration: ceria - lanthana

GOAL

Evaluation of the activation energy for oxygen migration in $Ce_{(1-x)}La_xO_{2-\frac{x}{2}}$ as the difference between the maximum and minimum energy values along the energy profile for a migrating oxygen from $\left(\frac{1}{4},\frac{1}{4},\frac{1}{4}\right)$ to $\left(\frac{3}{4},\frac{1}{4},\frac{1}{4}\right)$.

Results

\begin{center}\vbox{\input{2000-09-19-01.pslatex} }\end{center}

NOTE: $10\%$ and $70\%$ compositions look strange with respect to the other ones.

\inittptctr \rcRoundingfalse \fpDecimalSign{.} \begin{threeparttable} \begin{tab... ...tant lowermost values for each composition. \end{tablenotes}\end{threeparttable}

\begin{center}\vbox{\input{2000-09-19-02.pslatex} }\end{center}