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VOLUME 88 (2008) | ISSUE 8 | PAGE 621
Electronic Structure of New LiFeAs High-Tc Superconductor
PACS: 71.20.-b, 74.25.Jb, 74.70.Dd, 74.70.-b
Abstract
We present results of ab initio LDA calculations of electronic structure of "next generation" layered ironpnictide High-Tc superconductor LiFeAs (Tc=18K). Obtained electronic structure of LiFeAs is 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-orbitals 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.