%0 Journal Article %1 PhysRevB.104.165129 %A Alarab, Fatima %A Hricovini, Karol %A Leikert, Berengar %A Nicolaï, Laurent %A Fanciulli, Mauro %A Heckmann, Olivier %A Richter, Christine %A Prušakova, Lucie %A Jansa, Zdeňek %A Šutta, Pavol %A Rault, Julien %A Lefevre, Patrick %A Sing, Michael %A Muntwiler, Matthias %A Claessen, Ralph %A Minár, Ján %D 2021 %I American Physical Society %J Phys. Rev. B %K d %N 16 %P 165129 %R 10.1103/PhysRevB.104.165129 %T Photoemission study of pristine and Ni-doped SrTiO$_3$ thin films %U https://link.aps.org/doi/10.1103/PhysRevB.104.165129 %V 104 %X 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.

@article{PhysRevB.104.165129, 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.}, added-at = {2021-11-15T17:20:03.000+0100}, author = {Alarab, Fatima and Hricovini, Karol and Leikert, Berengar and Nicolaï, Laurent and Fanciulli, Mauro and Heckmann, Olivier and Richter, Christine and Prušakova, Lucie and Jansa, Zdeňek and Šutta, Pavol and Rault, Julien and Lefevre, Patrick and Sing, Michael and Muntwiler, Matthias and Claessen, Ralph and Minár, Ján}, biburl = {https://www.bibsonomy.org/bibtex/23e0f6fac9c20eb20d886cf355fcecd24/ctqmat}, day = 18, description = {Phys. Rev. B 104, 165129 (2021) - Photoemission study of pristine and Ni-doped ${\mathrm{SrTiO}}_{3}$ thin films}, doi = {10.1103/PhysRevB.104.165129}, interhash = {8575f467b5a649b370fa875513b8341f}, intrahash = {3e0f6fac9c20eb20d886cf355fcecd24}, journal = {Phys. Rev. B}, keywords = {d}, month = oct, number = 16, numpages = {8}, pages = 165129, publisher = {American Physical Society}, timestamp = {2023-10-19T11:15:33.000+0200}, title = {Photoemission study of pristine and Ni-doped SrTiO$_{\mathbf{3}}$ thin films}, url = {https://link.aps.org/doi/10.1103/PhysRevB.104.165129}, volume = 104, year = 2021 }