SURFACE-STATES AND ANGLE-RESOLVED PHOTOEMISSION SPECTRA FROM ND-2-XCE(X)CUO(4) SUPERCONDUCTOR

By carrying out first-principles angle-resolved photoemission (ARPES) computations within the local-density-approximation-based band theory framework, we predict the existence of surface states on the (001) surface of the superconductor Nd2-xCexCuO4 (NCCO). Two surface state bands are identified in the vicinity of the Fermi energy. The associated states possess quite different characteristics in terms of their binding energy, dispersion with k(parallel to), and the polarization and photon energy dependence. Our theoretical predictions offer new insight into the existing ARPES data on NCCO with which they are consistent.