Emergent half-metal with mixed structural order in (111)-oriented (LaMnO$_3$)$_{2n}$|(SrMnO$_3$)$_n$ superlattices
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| Format: | Preprint |
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2023
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| author | Cossu, Fabrizio Nascimento, Jùlio Alves Do Cavill, Stuart A. Di Marco, Igor Lazarov, Vlado K. Kim, Heung-Sik |
| author_facet | Cossu, Fabrizio Nascimento, Jùlio Alves Do Cavill, Stuart A. Di Marco, Igor Lazarov, Vlado K. Kim, Heung-Sik |
| contents | Using first-principles techniques, we study the structural, magnetic and electronic properties of (111)-oriented (LaMnO$_3$)$_{2n}$$\vert$(SrMnO$_3$)$_{n}$ superlattices of varying thickness ($n=2,4,6$). We find that the properties of the thinnest superlattice ($n=2$) are similar to the celebrated half-metallic ferromagnetic alloy La$_{2/3}$Sr$_{1/3}$MnO$_3$, with quenched Jahn-Teller distortions. At intermediate thickness ($n=4$), the $a^{-}a^{-}a^{-}$ tilting pattern transitions to the $a^{-}a^{-}c^{+}$ tilting pattern, driven by the lattice degrees of freedom in the LaMnO$_3$ region. The emergence of the Jahn-Teller modes and the spatial extent needed for their development play a key role in this structural transition. For the largest thickness considered ($n=6$), we unveil an emergent separation of Jahn-Teller and volume-breathing orders in the ground-state structure with the $a^{-}a^{-}c^{+}$ tilting pattern, whereas it vanishes in the antiferromagnetic configurations. The ground state of all superlattices is half-metallic ferromagnetic, not affected by the underlying series of structural transitions. Overall, these results outline a thickness-induced crossover between the physical properties of bulk La$_{2/3}$Sr$_{1/3}$MnO$_3$ and bulk LaMnO$_3$. |
| format | Preprint |
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arxiv_https___arxiv_org_abs_2311_01081 |
| institution | arXiv |
| publishDate | 2023 |
| record_format | arxiv |
| spellingShingle | Emergent half-metal with mixed structural order in (111)-oriented (LaMnO$_3$)$_{2n}$|(SrMnO$_3$)$_n$ superlattices Cossu, Fabrizio Nascimento, Jùlio Alves Do Cavill, Stuart A. Di Marco, Igor Lazarov, Vlado K. Kim, Heung-Sik Materials Science Using first-principles techniques, we study the structural, magnetic and electronic properties of (111)-oriented (LaMnO$_3$)$_{2n}$$\vert$(SrMnO$_3$)$_{n}$ superlattices of varying thickness ($n=2,4,6$). We find that the properties of the thinnest superlattice ($n=2$) are similar to the celebrated half-metallic ferromagnetic alloy La$_{2/3}$Sr$_{1/3}$MnO$_3$, with quenched Jahn-Teller distortions. At intermediate thickness ($n=4$), the $a^{-}a^{-}a^{-}$ tilting pattern transitions to the $a^{-}a^{-}c^{+}$ tilting pattern, driven by the lattice degrees of freedom in the LaMnO$_3$ region. The emergence of the Jahn-Teller modes and the spatial extent needed for their development play a key role in this structural transition. For the largest thickness considered ($n=6$), we unveil an emergent separation of Jahn-Teller and volume-breathing orders in the ground-state structure with the $a^{-}a^{-}c^{+}$ tilting pattern, whereas it vanishes in the antiferromagnetic configurations. The ground state of all superlattices is half-metallic ferromagnetic, not affected by the underlying series of structural transitions. Overall, these results outline a thickness-induced crossover between the physical properties of bulk La$_{2/3}$Sr$_{1/3}$MnO$_3$ and bulk LaMnO$_3$. |
| title | Emergent half-metal with mixed structural order in (111)-oriented (LaMnO$_3$)$_{2n}$|(SrMnO$_3$)$_n$ superlattices |
| topic | Materials Science |
| url | https://arxiv.org/abs/2311.01081 |