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Band structure of strongly correlated materials from the Dynamical Mean Field perspective

K Haule Rutgers University Collaborators : J.H. Shim & Gabriel Kotliar. Band structure of strongly correlated materials from the Dynamical Mean Field perspective. Fe, Ni. As, P. La,Sm,Ce. O. Iron based high-Tc superconductors. x~5-20%. Smaller c Higher T c.

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Band structure of strongly correlated materials from the Dynamical Mean Field perspective

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  1. K Haule Rutgers University Collaborators : J.H. Shim & Gabriel Kotliar Band structure of strongly correlated materials from the Dynamical Mean Field perspective

  2. Fe,Ni As,P La,Sm,Ce O Iron based high-Tc superconductors x~5-20% Smaller c Higher Tc • Y. Kamihara et.al., Tokyo, JACS • X.H. Chen, et.al., Beijing, cm/0803.3790 • G.F. Chen et.al., Beijing, cm/0803.3603 • Z.A. Ren et.al, Beijing, unpublished • 2D square lattice of Fe • Fe - magnetic moment • As-plays the role of O in cuprates

  3. Kink in resistivity maybe SDW Specific heat consistent with nodes! Possibly d wave.. LaFxO1-xFeAs Y. Kamihara et.al., J. Am. Chem. Soc. XXXX, XXX (2008) A.S. Sefat. et.al., cond-mat/0803.2403

  4. LaFxO1-xFeAs • Undoped compound: • Huge resistivity • Huge spin susceptibility • (  >> 100 bigger than in LSCO • 50 x Pauli) • Doped compound: • Large resistivity >> opt. dop. Cuprates • Spin susceptibility of an almost free spins • ~C/(T+120K) with C of S~1 Wilson’s ratio R~1 F0a small Y. Kamihara, J. Am. Chem. Soc. XXXX, XXX (2008)

  5. x2-y2 60meV yz, xz 160meV z2 60meV xy LDA for LaOFeAs KH, J.H. Shim, G. Kotliar, cond/mat 0803.1279 LDA DOS LDA: phonons-Tc<1K LDA: Mostly iron bands at EF (correlations important) 6 electrons in 5 Fe bands: Filling 6/10

  6. Not a one band model: all 5 bands important (for J>0.3) DMFT for LaFxO1-xFeAs LDA+DMFT: LaOFeAs is at the verge of the metal-insulator transition (for realistic U=4eV, J=0.7eV) For a larger (U=4.5, J=0.7eV) Slater insulator Need to create a singlet out of spin and orbit

  7. Electron pockets around M and A upon doping Optical conductivity of a bad metal No Drude peak DMFT for LaFxO1-xFeAs In LaOFeAs semiconducting gap is opening Large scattering rate at 116K 10% doping T=116 K

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