Termination-dependent Electronic and Magnetic Properties of Ultrathin SrRuO${}_3$ (111) Film on SrTiO${}_3$

Abstract

We have investigated electronic and magnetic properties of ultrathin SrRuO${}_3$ (SRO) film grown on (111) SrTiO${}_3$ substrate using the {\it ab initio} electronic structure calculations. Ru-terminated SRO (111) film suffers from strong surface atomic relaxations, while SrO${}_3$-terminated one preserves the surface structure of ideal perovskites. Both Ru- and SrO${}_3$-terminated SRO (111) film show unexpected interlayer antiferromagnetic (AFM) structure at the surface, but with different characters and mechanisms. The AFM structure for the former results from the large surface atomic relaxation, whereas that for the latter results from the truncated film effect. Interestingly, for the SrO${}_3$-termination case, the half-metallic nature emerges despite the interlayer AFM structure. Upon reducing the thickness, the collapsing behavior of magnetic anisotropy from out-of-plane to in-plane easy axis is found to occur for the Ru-termination case, which, however, does not pertain to SrO${}_3$-termination case.

7 pages, 9 figures

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Cited by in corpus (7)

• Atomically flat single terminated oxide substrate surfaces
• The nature of Itinerant Ferromagnetism of SrRuO3 : A DFT+DMFT Study
• Electronic and Spin States of SrRuO3 Thin Films: an X-ray Magnetic Circular Dichroism Study
• Cooperative control of perpendicular magnetic anisotropy via crystal structure and orientation in single-crystal flexible SrRuO3 membranes
• Polar compensation at the surface of SrTiO3 (111)
• Persistent half-metallic ferromagnetism in a (111)-oriented manganite superlattice
• Magnetism and berry phase manipulation in an emergent structure of perovskite ruthenate by (111) strain engineering