Surface localized magnetism in transition metal doped alumina
Abstract Alumina is a structural ceramic that finds many uses in a broad range of applications. It is widely employed in the aerospace and biomedical sectors due to its stability at high temperatures and in harsh chemical environments. Here, we show that magnetism can be induced at alumina surfaces...
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Nature Portfolio
2021
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oai:doaj.org-article:2de5afae6d5243bd927c60e400cebdee2021-12-02T17:05:12ZSurface localized magnetism in transition metal doped alumina10.1038/s41598-021-85791-52045-2322https://doaj.org/article/2de5afae6d5243bd927c60e400cebdee2021-03-01T00:00:00Zhttps://doi.org/10.1038/s41598-021-85791-5https://doaj.org/toc/2045-2322Abstract Alumina is a structural ceramic that finds many uses in a broad range of applications. It is widely employed in the aerospace and biomedical sectors due to its stability at high temperatures and in harsh chemical environments. Here, we show that magnetism can be induced at alumina surfaces by doping with 3d transition metals. We analyze the electronic structure, spin magnetic moments, and spin density of $$\alpha $$ α -Al $$_{2}$$ 2 O $$_{3}$$ 3 as a function of both dopant species (Sc, Ti, V, Cr, Mn, Fe, Co, Ni, Cu) and depth using first principles calculations. Our results show that all dopants, with the exception of Sc, produce magnetic moments that are concentrated to the surface of alumina with varying degrees of delocalization. It is seen that all of the dopants are at least meta-stable on the surface and must overcome an energy barrier of 0.19–1.14 eV in order to diffuse from the surface into the bulk. As a result of judiciously doping with select 3d transition metals the surface of alumina can be made magnetic. This could lead to novel applications in data storage, catalysis, and biomedical engineering through an added surface functionality.Erik C. NykwestDennis TrujilloS. Pamir AlpayNature PortfolioarticleMedicineRScienceQENScientific Reports, Vol 11, Iss 1, Pp 1-9 (2021) |
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DOAJ |
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DOAJ |
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Medicine R Science Q |
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Medicine R Science Q Erik C. Nykwest Dennis Trujillo S. Pamir Alpay Surface localized magnetism in transition metal doped alumina |
| description |
Abstract Alumina is a structural ceramic that finds many uses in a broad range of applications. It is widely employed in the aerospace and biomedical sectors due to its stability at high temperatures and in harsh chemical environments. Here, we show that magnetism can be induced at alumina surfaces by doping with 3d transition metals. We analyze the electronic structure, spin magnetic moments, and spin density of $$\alpha $$ α -Al $$_{2}$$ 2 O $$_{3}$$ 3 as a function of both dopant species (Sc, Ti, V, Cr, Mn, Fe, Co, Ni, Cu) and depth using first principles calculations. Our results show that all dopants, with the exception of Sc, produce magnetic moments that are concentrated to the surface of alumina with varying degrees of delocalization. It is seen that all of the dopants are at least meta-stable on the surface and must overcome an energy barrier of 0.19–1.14 eV in order to diffuse from the surface into the bulk. As a result of judiciously doping with select 3d transition metals the surface of alumina can be made magnetic. This could lead to novel applications in data storage, catalysis, and biomedical engineering through an added surface functionality. |
| format |
article |
| author |
Erik C. Nykwest Dennis Trujillo S. Pamir Alpay |
| author_facet |
Erik C. Nykwest Dennis Trujillo S. Pamir Alpay |
| author_sort |
Erik C. Nykwest |
| title |
Surface localized magnetism in transition metal doped alumina |
| title_short |
Surface localized magnetism in transition metal doped alumina |
| title_full |
Surface localized magnetism in transition metal doped alumina |
| title_fullStr |
Surface localized magnetism in transition metal doped alumina |
| title_full_unstemmed |
Surface localized magnetism in transition metal doped alumina |
| title_sort |
surface localized magnetism in transition metal doped alumina |
| publisher |
Nature Portfolio |
| publishDate |
2021 |
| url |
https://doaj.org/article/2de5afae6d5243bd927c60e400cebdee |
| work_keys_str_mv |
AT erikcnykwest surfacelocalizedmagnetismintransitionmetaldopedalumina AT dennistrujillo surfacelocalizedmagnetismintransitionmetaldopedalumina AT spamiralpay surfacelocalizedmagnetismintransitionmetaldopedalumina |
| _version_ |
1718381782400761856 |