Unveiling Insulating Ferro and Ferrimagnetism in Double-Double Perovskite Oxides
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arXiv
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| Format: | Preprint |
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2025
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| author | Shaikh, Monirul Zhou, Fengyi Buvaneswaran, Sathiyamoorthy Gowsalya, Rajan Sahoo, Trilochan Wang, Duo Ghosh, Saurabh |
| author_facet | Shaikh, Monirul Zhou, Fengyi Buvaneswaran, Sathiyamoorthy Gowsalya, Rajan Sahoo, Trilochan Wang, Duo Ghosh, Saurabh |
| contents | The emergence of ferro- and ferrimagnetic behavior in insulating materials is uncommon, largely due to Hund's rules. Utilizing symmetry analysis, first-principles methods, and classical Monte Carlo simulations, \textcolor{black}{we report technologically important insulating ferro and ferrimagnetic double-double perovskite oxides. Our study predicts LaA$^{\prime}$MnNiO$_6$ (A$^{\prime}$ = V, Cr, Mn, Co, and Ni) as promising candidates for spintronic and optical applications exhibiting band gaps between 1.3 eV and 1.9 eV. We explain the mechanisms driving band gap openings and magnetic exchange interactions in these ferro and ferrimagnetic compounds. Monte Carlo simulations, together with state-of-the-art orbital-decomposed exchange parameter analysis, reveal intriguing variations in magnetic transition temperatures (up to 242 K) and the corresponding exchange mechanisms in all LaA$^{\prime}$MnNiO$_6$ compounds.} In addition, we assess the thermodynamic and dynamic stability of these compounds to comment on the feasibility of these systems. |
| format | Preprint |
| id |
arxiv_https___arxiv_org_abs_2509_00542 |
| institution | arXiv |
| publishDate | 2025 |
| record_format | arxiv |
| spellingShingle | Unveiling Insulating Ferro and Ferrimagnetism in Double-Double Perovskite Oxides Shaikh, Monirul Zhou, Fengyi Buvaneswaran, Sathiyamoorthy Gowsalya, Rajan Sahoo, Trilochan Wang, Duo Ghosh, Saurabh Materials Science The emergence of ferro- and ferrimagnetic behavior in insulating materials is uncommon, largely due to Hund's rules. Utilizing symmetry analysis, first-principles methods, and classical Monte Carlo simulations, \textcolor{black}{we report technologically important insulating ferro and ferrimagnetic double-double perovskite oxides. Our study predicts LaA$^{\prime}$MnNiO$_6$ (A$^{\prime}$ = V, Cr, Mn, Co, and Ni) as promising candidates for spintronic and optical applications exhibiting band gaps between 1.3 eV and 1.9 eV. We explain the mechanisms driving band gap openings and magnetic exchange interactions in these ferro and ferrimagnetic compounds. Monte Carlo simulations, together with state-of-the-art orbital-decomposed exchange parameter analysis, reveal intriguing variations in magnetic transition temperatures (up to 242 K) and the corresponding exchange mechanisms in all LaA$^{\prime}$MnNiO$_6$ compounds.} In addition, we assess the thermodynamic and dynamic stability of these compounds to comment on the feasibility of these systems. |
| title | Unveiling Insulating Ferro and Ferrimagnetism in Double-Double Perovskite Oxides |
| topic | Materials Science |
| url | https://arxiv.org/abs/2509.00542 |