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arXiv · 1201.5369

Spin moment formation and reduced orbital polarization in LaNiO$_3$/LaAlO$_3$ superlattice: LDA+U study

Myung Joon Han·Michel van Veenendaal
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Abstract

Density functional band calculations have been performed to study LaNiO$_3$/LaAlO$_3$ superlattices. Motivated by recent experiments reporting the magnetic and metal-insulator phase transition as a function of LaNiO$_3$ layer thickness, we examined the electronic structure, magnetic properties, and orbital occupation depending on the number of LaNiO$_3$ layers. Calculations show that the magnetic phase is stabler than the nonmagnetic for finite and positive $U$ values. The orbital polarization is significantly reduced by $U$ even in the magnetic regions. The implications of the results are discussed in comparison to recent experimental and theoretical studies within the limitations of the LDA$+U$ method.

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Myung Joon Han, Michel van Veenendaal. 2012-01-25. Spin moment formation and reduced orbital polarization in LaNiO$_3$/LaAlO$_3$ superlattice: LDA+U study. https://doi.org/10.1103/physrevb.85.195102

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