Gutzwiller Density Functional Studies Of Feas-Based Superconductors: Structure Optimization And Evidence For A Three-Dimensional Fermi Surface

PHYSICAL REVIEW LETTERS, no. 4 (2010): 047002-047002

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The electronic structures of FeAs compounds are sensitive to FeAs bonding, which is described unsuccessfully by the local density approximation (LDA). Treating the multiorbital fluctuations from ab inito LDA + Gutzwiller method, we can now predict the correct FeAs bond length and bonding strength, which will explain the observed "soft pho...更多

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