Seminars Archive

Unexpected temperature and polarization dependence in high-Tc Bi(Pb)-2212 cuprates

Abstract
X-ray absorption spectroscopy (XAS) and angle resolved photoemission spectroscopy (ARPES) as well as density functional theory are used for investigation of the electronic structure of high-TC Bi-2212 cuprates. At first, the temperature dependence of the hole density (nH) by XAS on nearly optimum and slightly underdoped single crystals is studied. The measurements of the temperature dependence of nH by XAS show completely different behavior as that derived from Hall effect. Moreover, fitting our data by the Gor’kov and Teitel’baum formula, i.e. assuming a constant term and an activation term, was impossible. Additionally, the polarization dependence of the hole density has been measured by XAS showing that an inhomogeneity of holes in the copper oxide planes may exist. Such a behavior is not expected for the isotropic structure of the Bi(Pb)-2212 crystals and was only hardly to be explained. In order to derive additional experimental information, the temperature and polarization dependence of the electronic structure of the CuO2 planes of Bi(Pb)-2212 single crystals has been studied by ARPES. In particular, the so-called peak-dip-hump emission structure close to the Fermi energy has been measured, which is located at the M point of the Brillouin zone. The results show that the sharp emission structure close to the Fermi edge reveals a distinct polarization dependence and it vanishes at the pseudogap temperature T* and not at the critical temperature TC. The polarization dependence at the four M points of the Brillouin zone has revealed that there exists a symmetry line along to 45 from the Cu-O-Cu direction. Additionally, the observed failure of the dipole approximation to describe the spectra at normal polarization with respect to the mirror plane is discussed. On the other hand, the calculation of material properties by density functional theory has become a very active area of research in condensed matter physics. The electronic properties of CaCuO2 and the Bi-2212 cuprate have been calculated by DFT based on GGA and GGA+U where the Hubbard U term has been calculated by an ab initio method. The results reveal that only calculations based on MBJ+U lead to an anti-ferromagnetic ground state for the CaCuO2 compound while all functionals fail to find an anti-ferromagnetic ground state for Bi-2212.