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Urbana-Champaign, 2008 Band structure of strongly correlated materials from the Dynamical Mean Field perspective K Haule Rutgers University Collaborators.

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Presentation on theme: "Urbana-Champaign, 2008 Band structure of strongly correlated materials from the Dynamical Mean Field perspective K Haule Rutgers University Collaborators."— Presentation transcript:

1 Urbana-Champaign, 2008 Band structure of strongly correlated materials from the Dynamical Mean Field perspective K Haule Rutgers University Collaborators : J.H. Shim & Gabriel Kotliar

2 LaOFeP3.2K, JACS-2006 a=3.964A, c=8.512A PrF x O 1-x FeAs d)52K, unpublished a=3.985A, c=8.595A SmF x O 1-x FeAs c) 43K, cm/0803.3603 a=3.940A, c=8.496A CeF x O 1-x FeAs b)41 K, cm/0803.3790 a=3.996A, c=8.648A LaF x O 1-x FeAs a)26 K, JACS-2008 a=4.036A, c=8.739 A La 1-x Sr x OFeAs25K, cm/0803.3021, a=4.035A, c = 8.771A LaCa x O 1+x FeAs0 K LaF x O 1-x NiAs2.75K, cm/0803.2572a =4.119A, c=8.180A La 1-x Sr x ONiAs3.7K, cm/0803.3978 a=4.045A, c=8.747A x~5-20% Fe, Ni As, P La,Sm,Ce O 2D square lattice of Fe Fe - magnetic moment As-plays the role of O in cuprates Smaller c Higher T c Iron based high-Tc superconductors a)Y. Kamihara et.al., Tokyo, JACS b)X.H. Chen, et.al., Beijing, cm/0803.3790 c)G.F. Chen et.al., Beijing, cm/0803.3603 d)Z.A. Ren et.al, Beijing, unpublished

3 Y. Kamihara et.al., J. Am. Chem. Soc. XXXX, XXX (2008) A.S. Sefat. et.al., cond-mat/0803.2403 Specific heat consistent with nodes! Possibly d wave.. Kink in resistivity maybe SDW LaF x O 1-x FeAs

4 Y. Kamihara, J. Am. Chem. Soc. XXXX, XXX (2008) Undoped compound: Huge resistivity Doped compound: Large resistivity >> opt. dop. Cuprates Huge spin susceptibility (  >> 100 bigger than in LSCO 50 x Pauli) Spin susceptibility of an almost free spins  ~C/(T+120K) with C of S~1 Wilson’s ratio R~1 F 0 a small LaF x O 1-x FeAs

5 LDA: phonons-Tc<1K KH, J.H. Shim, G. Kotliar, cond/mat 0803.1279 LDA: Mostly iron bands at EF (correlations important) LDA DOS 6 electrons in 5 Fe bands: Filling 6/10 LDA for LaOFeAs x 2 -y 2 yz, xz z2z2 xy 60meV 160meV 60meV

6 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 Not a one band model: all 5 bands important (for J>0.3) DMFT for LaF x O 1-x FeAs Need to create a singlet out of spin and orbit

7 In LaOFeAs semiconducting gap is opening Large scattering rate at 116K Optical conductivity of a bad metal No Drude peak Electron pockets around M and A upon doping DMFT for LaF x O 1-x FeAs T=116 K 10% doping

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