Ferromagnetic insulating state in tensile-strained LaCoO${}_3$ thin films

Abstract

With local density approximation + Hubbard $U$ (LDA+$U$) calculations, we show that the ferromagnetic (FM) insulating state observed in tensile-strained LaCoO${}_3$ epitaxial thin films is most likely a mixture of low-spin (LS) and high-spin (HS) Co, namely, a HS/LS mixture state. Compared with other FM states, including the intermediate-spin (IS) state (\textit{metallic} within LDA+$U$), which consists of IS Co only, and the insulating IS/LS mixture state, the HS/LS state is the most favorable one. The FM order in HS/LS state is stabilized via the superexchange interactions between adjacent LS and HS Co. We also show that Co spin state can be identified by measuring the electric field gradient (EFG) at Co nucleus via nuclear magnetic resonance (NMR) spectroscopy.

References in corpus (6)

• Quantum ESPRESSO: a modular and open-source software project for quantum simulations of materials
• Spin-state crossover and hyperfine interactions of ferric iron in MgSiO${}_3$ perovskite
• Structural effects on the spin-state transition in epitaxially strained LaCoO${}_3$ films
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• Suppression of the ferromagnetic state in LaCoO3 films by rhombohedral distortion
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