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Chuck-Hou Yee edited workflow.tex
over 7 years ago
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The three stages are outlined in Table.~\ref{tbl:workflow}. In a sense, the steps are opposite of the order taken in solid state synthesis. Here, elements and simple compounds in a chemical system are combined and subjected to heating/cooling programs to provide the kinetic energy necessary for atomic rearrangement to form new stoichiometries (of which there may be more than one). Simultaneously, the stoichiometries crystallize to form structures which are then isolated for further study. Roughly, steps 2 and 3 are simultaneous in experiment. Only after a new crystal structure has been isolated is the electronic properties of the material studied.
On the theoretical side,
correlated materials are sufficiently challenging to model that most work has traditionally focused on the electronic structure step, with the
understanding that treatment of correlations
likely aren't too important for has followed a tiered model. Since the
Correlated materials still looking for qualitative ideas, heuristics,. quote Mike Norman.
In correlated materials one does bits and pieces.
Importance The most detailed treatments of
doing this in conjunction with experiments ( given the primitive stage of the theory ) correlations
\begin{itemize}
\item Correlated materials: still looking for qualitative ideas and heuristics. Quote Mike Norman.
\item Current state: in correlated materials one does bits and pieces.
\item Importance of doing materials design in conjunction with experiments (given the primitive stage of theory).
\end{itemize}