2024/09/18 by Henrique M. M. Cardoso, Cardoso, Henrique M. M., M. C. O. Aguiar +5
Materials Science · Physics and Astronomy · #Advanced Condensed Matter Physics #FOS: Physical sciences #Magnetic and transport properties of perovskites and related materials #Materials Science (cond-mat.mtrl-sci) #Rare-earth and actinide compounds #Strongly Correlated Electrons (cond-mat.str-el)
paper · pdf · doi:10.48550/arxiv.2409.12270
openalex publication_date 2024/09/18 · openalex created_date 2025/10/10 · openalex updated_date 2026/08/01
The electronic and magnetic properties of NdNiO3 (NNO) thin films are very sensitive to epitaxial strain and to the proximity to ferromagnetic oxides. In this work, we investigate the structural, electronic, and magnetic properties of NdNiO3/La2/3Sr1/3MnO3 (NNO/LSMO) superlattices under the epitaxial strain of NdGaO3 (NGO) using density functional theory with Hubbard U correction (DFT+U) calculations. Our findings reveal that LSMO induces insignificant structural distortions on the NiO6 octahedra, and that there is a negligible charge transfer between LSMO and NNO. More importantly, we find an intricate magnetic order regarding the interfacial Ni local moments, where we observe a coexistence of ferromagnetic interactions between interfacial Ni and Mn atoms, and antiferromagnetic interactions between inner Ni ions, which results in an overall ferromagnetic coupling across the interface. We also observe the metallization of NNO through the emergence of a half-metallic density of states in the same spin channel as LSMO, which becomes suppressed the further we move away from the interface. Our theoretical findings agrees well with recent experimental data, shedding light on the complex interplay between the induced magnetic order and the electronic properties of NNO.