Photoemission study of pristine and Ni-doped SrTiO$_{3}$ thin films

F. Alarab, K. Hricovini, B. Leikert, L. Nicolaï, M. Fanciulli, O. Heckmann, C. Richter, L. Prušakova, Z. Jansa, P. Šutta, J. Rault, P. Lefevre, M. Sing, M. Muntwiler, R. Claessen, and J. Minár

Abstract

We combined photoelectron spectroscopy with first-principles calculations to investigate electronic properties of SrTiO3 doped with Ni impurities. High-quality epitaxial pristine SrTiO3 and SrTiO3:Nix films with x=0.06 and 0.12 were prepared by pulsed laser deposition. Electronic band structure calculations for the ground state, as well as one-step model photoemission calculations, which were obtained by means of the Korringa-Kohn-Rostoker Green's function method, predict the formation of localized 3d-impurity bands in the band gap of SrTiO3 close to the valence band maxima. The measured valence bands at the resonance Ni 2p excitation and band dispersion confirm these findings.

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