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arXiv · 1411.1218

Electronic reconstruction at the isopolar LaTiO3/LaFeO3 interface: An x-ray photoemission and density functional theory study

J. E. Kleibeuker·Z. Zhong·H. Nishikawa·J. Gabel·A. Müller·F. Pfaff·M. Sing·K. Held·R. Claessen·G. Koster·G. Rijnders
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Abstract

We report the formation of a non-magnetic 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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J. E. Kleibeuker, Z. Zhong, H. Nishikawa, J. Gabel, A. Müller, F. Pfaff, M. Sing, K. Held, R. Claessen, G. Koster, G. Rijnders. 2014-11-05. Electronic reconstruction at the isopolar LaTiO3/LaFeO3 interface: An x-ray photoemission and density functional theory study. https://doi.org/10.1103/physrevlett.113.237402

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