Kleibeuker, J. E., Zhong, Z., Nishikawa, H., Gabel, J., Müller, A., Pfaff, F., Sing, M., Held, K., Claessen, R., Koster, G., & Rijnders, G. (2014). Electronic Reconstruction at the Isopolar LaTiO₃/LaFeO₃ Interface: An X-Ray Photoemission and Density-Functional Theory Study. Physical Review Letters, 113(237402). https://doi.org/10.1103/physrevlett.113.237402
We report the formation of a nonmagnetic band insulator at the isopolar interface between the
antiferromagnetic Mott-Hubbard insulator LaTiO3 and the antiferromagnetic charge transfer insulator
LaFeO3. By density-functional theory calculations, we find that the formation of this interface state is
driven by the combination of O band alignment and crystal field splitting energy of the t2g and eg bands. As
a result of these two driving forces, the Fe 3d bands rearrange and electrons are transferred from Ti to Fe.
This picture is supported by x-ray photoelectron spectroscopy, which confirms the rearrangement of the
Fe 3d bands and reveals an unprecedented charge transfer up to 1.2 0.2 e−=interface unit cell in our
LaTiO3=LaFeO3 heterostructures.
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Research Areas:
Surfaces and Interfaces: 50% Computational Materials Science: 50%