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Chuck-Hou Yee edited cuprates2b.tex
over 7 years ago
Commit id: 9bb48aab14c39899afc5ac4dc5b5a41e11bb1c16
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anions less electronegative than Cu, as these anions would capture dopants
intended for the superconducting plane, producing additional Fermi surfaces.
\emph{Global stability} --
In order to perform
Outcome : proposed compound with more confidence.
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Accuracy of LDA. Metastable structures do exist. One cuprates are above the hull.
\emph{Electronic structure} -- In order to evaluate the prospects of superconductivity, we computed the orbitally-resolved density of states (Fig.~\ref{fig:hcsco-bands}). There is indeed a single band crossing the Fermi level Hg(CaS)$_2$CuO$_2$