First-principles design of ferromagnetic monolayer MnO$_2$ at the complex interface
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arXiv
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| Format: | Preprint |
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2023
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| _version_ | 1866913242612236288 |
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| author | Wang, Rui-Qi Lei, Tianmin Fang, Yue-Wen |
| author_facet | Wang, Rui-Qi Lei, Tianmin Fang, Yue-Wen |
| contents | Rapidly increasing interest in low-dimensional materials is driven by the emerging requirement to develop nanoscale
solid-state devices with novel functional properties that are not available in three-dimensional bulk phases.
Among the well-known low-dimensional systems, complex transition metal oxide interface holds promise for broad
applications in electronic and spintronics devices. Herein, intriguing metal-insulator and
ferromagnetic-antiferromagnetic transitions are achieved in monolayer MnO$_2$ that is sandwiched into
SrTiO$_3$-based heterointerface systems through interface engineering.
By using first-principles calculations, we modeled three types of SrTiO$_3$-based heterointerface systems with different interface terminations and performed a comparative study on the spin-dependent magnetic and electronic properties that are established in the confined MnO$_2$ monolayer. First-principles study predicts that metal-insulator transition and magnetic transition in the monolayer MnO$_2$ are independent on the thickness of capping layers. Moreover, 100$\%$ spin-polarized two-dimensional electron gases accompanied by robust room temperature magnetism are uncovered in the monolayer MnO$_2$. Not only is the buried MnO$_2$ monolayer a new interface phase of fundamental physical interest, but it is also a promising candidate material for nanoscale spintronics applications. Our study suggests interface engineering at complex oxide interfaces is an alternative approach to designing high-performance two-dimensional materials. |
| format | Preprint |
| id |
arxiv_https___arxiv_org_abs_2305_13549 |
| institution | arXiv |
| publishDate | 2023 |
| record_format | arxiv |
| spellingShingle | First-principles design of ferromagnetic monolayer MnO$_2$ at the complex interface Wang, Rui-Qi Lei, Tianmin Fang, Yue-Wen Materials Science Mesoscale and Nanoscale Physics Rapidly increasing interest in low-dimensional materials is driven by the emerging requirement to develop nanoscale solid-state devices with novel functional properties that are not available in three-dimensional bulk phases. Among the well-known low-dimensional systems, complex transition metal oxide interface holds promise for broad applications in electronic and spintronics devices. Herein, intriguing metal-insulator and ferromagnetic-antiferromagnetic transitions are achieved in monolayer MnO$_2$ that is sandwiched into SrTiO$_3$-based heterointerface systems through interface engineering. By using first-principles calculations, we modeled three types of SrTiO$_3$-based heterointerface systems with different interface terminations and performed a comparative study on the spin-dependent magnetic and electronic properties that are established in the confined MnO$_2$ monolayer. First-principles study predicts that metal-insulator transition and magnetic transition in the monolayer MnO$_2$ are independent on the thickness of capping layers. Moreover, 100$\%$ spin-polarized two-dimensional electron gases accompanied by robust room temperature magnetism are uncovered in the monolayer MnO$_2$. Not only is the buried MnO$_2$ monolayer a new interface phase of fundamental physical interest, but it is also a promising candidate material for nanoscale spintronics applications. Our study suggests interface engineering at complex oxide interfaces is an alternative approach to designing high-performance two-dimensional materials. |
| title | First-principles design of ferromagnetic monolayer MnO$_2$ at the complex interface |
| topic | Materials Science Mesoscale and Nanoscale Physics |
| url | https://arxiv.org/abs/2305.13549 |