Effect of Cr3+ doped on electronic and magnetic properties of SrFe12O19 by first‐principles study
This theoretical work presents the electronic and magnetic properties of Cr doped SrFe12O19 using first-principles calculations based on density functional theory. An improvement in the magnetic properties of SrFe12O19 is predicted when doped with the Cr3+ ion. It was found that the magnetic Cr3+ io...
| Authors: | ; ; ; ; |
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| Format: | Article |
| Status: | Accepted version |
| Publication date: | 2021 |
| Country: | España |
| Institution: | Varias* (Consorci de Biblioteques Universitáries de Catalunya, Centre de Serveis Científics i Acadèmics de Catalunya) |
| Repository: | Recercat. Dipósit de la Recerca de Catalunya |
| OAI Identifier: | oai:recercat.cat:2445/186018 |
| Online Access: | https://hdl.handle.net/2445/186018 |
| Access Level: | Open access |
| Keyword: | Estructura electrònica Magnetisme Teoria del funcional de densitat Electronic structure Magnetism Density functionals |
| _version_ | 1878729880637538304 |
|---|---|
| author | Hmok, HLinh |
| author2 | Betancourt, I. Martínez-Aguilar, E. Ribas Ariño, Jordi Raymond Herrera, Oscar |
| author2_role | author author author author |
| author_browse | Betancourt, I. Hmok, HLinh Martínez-Aguilar, E. Raymond Herrera, Oscar Ribas Ariño, Jordi |
| author_facet | Hmok, HLinh Betancourt, I. Martínez-Aguilar, E. Ribas Ariño, Jordi Raymond Herrera, Oscar |
| author_role | author |
| collection | Recercat. Dipósit de la Recerca de Catalunya |
| description | This theoretical work presents the electronic and magnetic properties of Cr doped SrFe12O19 using first-principles calculations based on density functional theory. An improvement in the magnetic properties of SrFe12O19 is predicted when doped with the Cr3+ ion. It was found that the magnetic Cr3+ ion preferentially replaces Fe3+ ion at 2a, 4f1, and 12k sites. The calculation demonstrates that if Cr ion occupies the 4f1 site, a total magnetization of 52.920 emu/g is obtained. On the other hand, SrFe11.5Cr0.5O19 behaves as a semiconductor when Cr occupies the 2a and 12k sites while behaves like half-metal when Cr occupies the 4f1 site. The higher magnetization, identified for the SrFe11.5Cr0.5O19 compound, provides unique qualities in the applications of permanent magnets and/or related devices like spintronics and magnetic semiconductors. |
| eu_rights_str_mv | openAccess |
| format | article |
| id | ES_10e8df4f45936fbe4bee0eef2a14d2fd |
| institution | Varias* (Consorci de Biblioteques Universitáries de Catalunya, Centre de Serveis Científics i Acadèmics de Catalunya) |
| instname_str | Varias* (Consorci de Biblioteques Universitáries de Catalunya, Centre de Serveis Científics i Acadèmics de Catalunya) |
| network_acronym_str | ES |
| network_name_str | España |
| oai_identifier_str | oai:recercat.cat:2445/186018 |
| publishDate | 2021 |
| publishDateSort | 2021 |
| publisher | Springer Verlag |
| publisherStr | Springer Verlag |
| reponame_str | Recercat. Dipósit de la Recerca de Catalunya |
| spelling | Effect of Cr3+ doped on electronic and magnetic properties of SrFe12O19 by first‐principles study Hmok, HLinh Betancourt, I. Martínez-Aguilar, E. Ribas Ariño, Jordi Raymond Herrera, Oscar Estructura electrònica Magnetisme Teoria del funcional de densitat Electronic structure Magnetism Density functionals This theoretical work presents the electronic and magnetic properties of Cr doped SrFe12O19 using first-principles calculations based on density functional theory. An improvement in the magnetic properties of SrFe12O19 is predicted when doped with the Cr3+ ion. It was found that the magnetic Cr3+ ion preferentially replaces Fe3+ ion at 2a, 4f1, and 12k sites. The calculation demonstrates that if Cr ion occupies the 4f1 site, a total magnetization of 52.920 emu/g is obtained. On the other hand, SrFe11.5Cr0.5O19 behaves as a semiconductor when Cr occupies the 2a and 12k sites while behaves like half-metal when Cr occupies the 4f1 site. The higher magnetization, identified for the SrFe11.5Cr0.5O19 compound, provides unique qualities in the applications of permanent magnets and/or related devices like spintronics and magnetic semiconductors. Springer Verlag https://hdl.handle.net/2445/186018 |
| spellingShingle | Effect of Cr3+ doped on electronic and magnetic properties of SrFe12O19 by first‐principles study Hmok, HLinh Estructura electrònica Magnetisme Teoria del funcional de densitat Electronic structure Magnetism Density functionals |
| status_str | acceptedVersion |
| title | Effect of Cr3+ doped on electronic and magnetic properties of SrFe12O19 by first‐principles study |
| title_full | Effect of Cr3+ doped on electronic and magnetic properties of SrFe12O19 by first‐principles study |
| title_fullStr | Effect of Cr3+ doped on electronic and magnetic properties of SrFe12O19 by first‐principles study |
| title_full_unstemmed | Effect of Cr3+ doped on electronic and magnetic properties of SrFe12O19 by first‐principles study |
| title_short | Effect of Cr3+ doped on electronic and magnetic properties of SrFe12O19 by first‐principles study |
| title_sort | Effect of Cr3+ doped on electronic and magnetic properties of SrFe12O19 by first‐principles study |
| topic | Estructura electrònica Magnetisme Teoria del funcional de densitat Electronic structure Magnetism Density functionals |
| topic_facet | Estructura electrònica Magnetisme Teoria del funcional de densitat Electronic structure Magnetism Density functionals |
| url | https://hdl.handle.net/2445/186018 |