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Gabriel Kotliar edited tlcscl3.tex
over 7 years ago
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(1988))at the optimal doping. LDA fails to describe the insulating character of the parent compound. Conventional LDA estimates of the electron phonon coupling, within Migdal Eliasberg theory, predicted that the electron phonon coupling in the doped compound is of the order of XXX and therefore cannot account for its superconductivity. REFERENCE TO
SAVRASOV.
In ref XXX we found that in BaBiO 3 there is a substantial
correlation enhancement of λ relative to its LDA estimate, and that this enhancement is
responsible for superconductvity in BaKBiO3 (λ ~ .1 ) . We argue that this occurs in many other materials which are
proximate to an insulating state, and accounts for the superconductivity on the “Other High Temperature
superconductors”. HfNCl, Borocarbides, Bucky Balls.
For these materials the most important type of correlation that needs to be treated is the static
( in the solid state physicist convention) correlations. Hence a GW, or a hybrid DFT calcuation is enough
to correct the electronic structure of this material.
After these calculations are done, one is left with a strongly coupled electron phonon system
( after the static corrections to the Kohn Sham potential $\lambda ~ 1$ ). This coupling induces a large
dynamical self energy, which accounts for the anomalous optical properties of this system [ Nourafkan ].
Following M. Norman's cited above, we searched for other materials in that class. Materials whose parent compound would be strongly mixed valent and where the electron phonon coupling would be understimated by LDA, so that they would be candidates to be another " other high temperature superconductor".
\emph{Electronic structure} -- Parent compound. Gap, requires GW. ( LDA fails ) .