Layer- and Orbital-Selective Mott Physics Driving Dimensional Crossover in Nickelate Superlattices
Abstract
The design of quantum materials to manipulate dimensionality and electronic correlations is a central focus in the exploration of emergent phenomena. We propose a new correlated quantum material platform for realizing a layer- and orbital-selective Mott transition (LOSMT) in a nickelate heterostructure by combining bilayer and monolayer LaNiO3 separated by a monolayer LaAlO3 spacer under compressive strain from the LaAlO3 substrate. The LOSMT emerges from the layer-dependent dimensional confinement of the apical Ni(d)-z2 orbital and strain-induced lifting of the orbital degeneracy. The monolayer LaNiO3 exhibits an orbital-selective Mott insulating phase with a Mott gap in the Ni(d)-z2 orbital, whereas the bilayer LaNiO3 exhibits a multi-orbital metallic phase, triggering the orbital-selective Mott transition upon cooling via inter-layer hybridization of the Ni(d)-z2 orbitals. Calculations within the density functional theory plus dynamical mean-field theory (DFT+DMFT) framework reveal that the LOSMT drives a dimensional crossover by enabling out-of-plane electronic transport through the metallization of the localized apical Ni(d)-z2 orbital, while the planar Ni(d)-x2−y2 orbital remains itinerant across the transition. The emergence of the LOSMT provides a new pathway for engineering correlated quantum materials toward unconventional superconductivity and Mott-transistor functionalities.
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BibTeX
@misc{kim2026layer,
title = {{Layer- and Orbital-Selective Mott Physics Driving Dimensional Crossover in Nickelate Superlattices}},
author = {Minjae Kim and Byungmin Sohn and Sangjae Lee},
howpublished = {arXiv},
year = {2026},
month = sep,
doi = {10.48550/arxiv.2609.13723},
eprint = {2609.13723},
archivePrefix = {arXiv},
url = {https://arxiv.org/abs/2609.13723},
note = {CC BY 4.0},
}
RIS
TY - UNPB
TI - Layer- and Orbital-Selective Mott Physics Driving Dimensional Crossover in Nickelate Superlattices
AU - Minjae Kim
AU - Byungmin Sohn
AU - Sangjae Lee
PY - 2026
DA - 2026/09/12
PB - arXiv
DO - 10.48550/arxiv.2609.13723
UR - https://arxiv.org/abs/2609.13723
AB - The design of quantum materials to manipulate dimensionality and electronic correlations is a central focus in the exploration of emergent phenomena. We propose a new correlated quantum material platform for realizing a layer- and orbital-selective Mott transition (LOSMT) in a nickelate heterostructure by combining bilayer and monolayer LaNiO_3 separated by a monolayer LaAlO_3 spacer under compressive strain from the LaAlO_3 substrate. The LOSMT emerges from the layer-dependent dimensional confinement of the apical Ni(d)-z^2 orbital and strain-induced lifting of the orbital degeneracy. The monolayer LaNiO_3 exhibits an orbital-selective Mott insulating phase with a Mott gap in the Ni(d)-z^2 orbital, whereas the bilayer LaNiO_3 exhibits a multi-orbital metallic phase, triggering the orbital-selective Mott transition upon cooling via inter-layer hybridization of the Ni(d)-z^2 orbitals. Calculations within the density functional theory plus dynamical mean-field theory (DFT+DMFT) framework reveal that the LOSMT drives a dimensional crossover by enabling out-of-plane electronic transport through the metallization of the localized apical Ni(d)-z^2 orbital, while the planar Ni(d)-x^2−y^2 orbital remains itinerant across the transition. The emergence of the LOSMT provides a new pathway for engineering correlated quantum materials toward unconventional superconductivity and Mott-transistor functionalities.
ER -