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

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

2012-01-25

arxiv.org/abs/1201.5369v1

Physics

Condensed Matter

Strongly Correlated Electrons

5+ pages, 5 figures

Scientific paper

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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