Myung Joon Han, Michel van Veenendaal
In the layer-by-layer controlled artificial structure of transition-metal oxides, it is known that the transition metal d charge valence, orbital occupation, and other degrees of freedom are often reconstructed, which can lead to unexpected material properties such as a highly metallic interface, magnetism, and superconductivity. In this study, by using first-principles density functional theory calculations for (LaNiO3)m/(SrTiO3)n superlattices, we report a different type of reconstruction caused by the heterostructuring, that is, redistribution. The Fermi level density of states of metallic nickelate layers is significantly reduced without charge transfer in the vicinity of interface to the insulating SrTiO3. Further analysis indicates that this systematic way of electron response can be a general feature particularly in the nickelate systems. Our result sheds new light towards understanding the nickelates and other transition-metal oxide heterostructures.
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http://arxiv.org/abs/1304.1615
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