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Chuck-Hou Yee added subsection_TlCsCl3_Qualitive_idea_Imitate__.tex
almost 8 years ago
Commit id: a16368f52aa7372cc59e7bab2ea920f067af3ef6
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\subsection{TlCsCl3}
Qualitive idea. Imitate BaBiO3 in a different region of periodic table using other elements that disproportionate. Correlations enhance electron phonon coupling.
\begin{itemize}
\item Parent compound. Gap, requires GW. ( LDA fails ) .
\item Checked local stability: compute phonons (global stability not done)
\item Reaction path as a slice of a convex hull
Outcome: new material, undopable. Is it related to the large heat of formation? Self-localization – disorder ?
