LDA density functional study of lithium intercalated compounds in grephite

Local Density Functional (LDA) calculations have been done for different lithium intercalated graphite compounds. We have explored the most common ones namely LiC$_{6}$, and LiC$_{2}$. Also the LiC$_{3}$ has been studied. To explain some details about the structural and electronic properties of the last one, we have used two computer codes, FHI98MD and WIEN2k. This was motivated by a recent work for the LiC$_{3 }$compound, where it is said that lithium atoms positions are not in the middle plane between the graphene layers formed by the carbon atoms. Discussion of the three mentioned lithium intercalated compounds and somewhat about the superconductivity will be given during the presentation.