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Comparison of Band Structures in LiFeAs and BKFA Compounds

Investigating the calculated and experimental binding energies of LiFeAs and BKFA compounds using ARPES for in-plane momentum analysis. The research highlights the energy discrepancies and band structures in these materials.

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Comparison of Band Structures in LiFeAs and BKFA Compounds

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  1. Γ X Γ X Calculation Experiment 0.5 a b c 111 0.0 Γ -0.3 -0.2 -0.1 0.0 0.1 -0.5 X Experimental binding energy (eV) Calculated binding energy (eV) 0.5 d e f 122 0.0 -0.3 -0.2 -0.1 0.0 0.1 Γ dxy dxzdyz -0.5 X In-plane momentum

  2. LiFeAs: band structure 0.5 LDA 0.0 Calculated energy (eV) -0.5 • 3 times renormalized; • dxy band is 60 (bare 180) meV higher: no FS nesting; • dxz/dyz bands are 40 (120) meV lower; • dxz/dyz bands are flattened or “pinned” to the Fermi level. Experimental energy (eV) -0.3 -0.2 -0.1 0.0 0.1 ARPES Γ X In-plane momentum Borisenko PRL 2010 Yaresko 2010

  3. BKFA: band structure 0.5 LDA 0.0 Calculated energy (eV) -0.5 ARPES Experimental energy (eV) -0.3 -0.2 -0.1 0.0 0.1 Γ X In-plane momentum

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