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) sur face of the superconductor Nd2-xCexCuO4 (NCCO). Two surface state band s are identified in the vicinity of the Fermi energy. The associated s tates possess quite different characteristics in terms of their bindin g energy, dispersion with k(parallel to), and the polarization and pho ton energy dependence. Our theoretical predictions offer new insight i nto the existing ARPES data on NCCO with which they are consistent.