Electronic structure of new LiFeAs high-T c superconductor

We present results of ab initio LDA calculations of electronic structure of “next generation” layered iron-pnictide high-T _c superconductor LiFeAs (T _c = 18 K). Obtained electronic structure of LiFeAs very similar to recently studied ReOFeAs (Re = La, Ce, Pr, Nd, Sm) and AFe₂As₂ (A = Ba, Sr) compounds. Namely close to the Fermi level its electronic properties are also determined mainly by Fe 3d-orbilats of FeAs₄ two-dimensional layers. Band dispersions of LiFeAs are very similar to the LaOFeAs and BaFe₂As₂ systems as well as the shape of the Fe-3d density of states and Fermi surface. The article is published in the original.