Chuck-Hou Yee edited workflow.tex  almost 8 years ago

Commit id: 89b1a57260d7aff7bd8937c7126381d74c4a9869

deletions | additions      

       

\hline  \end{tabular}   \caption{Three-step workflow of materials design.}  \label{tblworkflow} \label{tbl:workflow}  \end{table}  The three stages are outlined in Table.~\ref{tblworkflow}. 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.  In the theoretical side, the challenge in capturing correlated materials  Correlated materials still looking for qualitative ideas, heuristics,. quote Mike Norman.