Zubaria Maroof , Ren Ren , Shahid Hussain , Muhammad Habeeb Ul Hassan
{"title":"(SrFeO3)2/(LaAlO3)1.5(001)超晶格的磁性研究","authors":"Zubaria Maroof , Ren Ren , Shahid Hussain , Muhammad Habeeb Ul Hassan","doi":"10.1016/j.cocom.2025.e01084","DOIUrl":null,"url":null,"abstract":"<div><div>In this study, we investigate the interface of the heterostructure (SrFeO<sub>3</sub>)<sub>2</sub>/(LaAlO<sub>3</sub>)<sub>1.5</sub> to explore the emergent magnetic phenomena arising from the interplay between electrical and structural characteristics at this oxides interface. Utilizing density functional theory with Hubbard corrections (DFT + U), we analyze the magnetic states, density of states (DOS), and band structure of a 2 × 2 × 1 supercell configuration. While bulk SrFeO<sub>3</sub> typically exhibits ferromagnetism at room temperature, our results reveal that the C-type antiferromagnetism is energetically favored within this heterostructure configuration. This stabilization is attributed to charge transfer and structural distortions at the interface. This layered configuration reshapes the magnetic ordering energy, enabling the modulation of magnetic states. These findings provide valuable insights into the magnetic and electrical properties of the heterostructure.</div></div>","PeriodicalId":46322,"journal":{"name":"Computational Condensed Matter","volume":"44 ","pages":"Article e01084"},"PeriodicalIF":3.9000,"publicationDate":"2025-06-27","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":"{\"title\":\"Study of magnetic properties in (SrFeO3)2/(LaAlO3)1.5 (001) superlattice\",\"authors\":\"Zubaria Maroof , Ren Ren , Shahid Hussain , Muhammad Habeeb Ul Hassan\",\"doi\":\"10.1016/j.cocom.2025.e01084\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"<div><div>In this study, we investigate the interface of the heterostructure (SrFeO<sub>3</sub>)<sub>2</sub>/(LaAlO<sub>3</sub>)<sub>1.5</sub> to explore the emergent magnetic phenomena arising from the interplay between electrical and structural characteristics at this oxides interface. Utilizing density functional theory with Hubbard corrections (DFT + U), we analyze the magnetic states, density of states (DOS), and band structure of a 2 × 2 × 1 supercell configuration. While bulk SrFeO<sub>3</sub> typically exhibits ferromagnetism at room temperature, our results reveal that the C-type antiferromagnetism is energetically favored within this heterostructure configuration. This stabilization is attributed to charge transfer and structural distortions at the interface. This layered configuration reshapes the magnetic ordering energy, enabling the modulation of magnetic states. These findings provide valuable insights into the magnetic and electrical properties of the heterostructure.</div></div>\",\"PeriodicalId\":46322,\"journal\":{\"name\":\"Computational Condensed Matter\",\"volume\":\"44 \",\"pages\":\"Article e01084\"},\"PeriodicalIF\":3.9000,\"publicationDate\":\"2025-06-27\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"\",\"citationCount\":\"0\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"Computational Condensed Matter\",\"FirstCategoryId\":\"1085\",\"ListUrlMain\":\"https://www.sciencedirect.com/science/article/pii/S2352214325000838\",\"RegionNum\":0,\"RegionCategory\":null,\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"\",\"PubModel\":\"\",\"JCR\":\"Q3\",\"JCRName\":\"PHYSICS, CONDENSED MATTER\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"Computational Condensed Matter","FirstCategoryId":"1085","ListUrlMain":"https://www.sciencedirect.com/science/article/pii/S2352214325000838","RegionNum":0,"RegionCategory":null,"ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q3","JCRName":"PHYSICS, CONDENSED MATTER","Score":null,"Total":0}
Study of magnetic properties in (SrFeO3)2/(LaAlO3)1.5 (001) superlattice
In this study, we investigate the interface of the heterostructure (SrFeO3)2/(LaAlO3)1.5 to explore the emergent magnetic phenomena arising from the interplay between electrical and structural characteristics at this oxides interface. Utilizing density functional theory with Hubbard corrections (DFT + U), we analyze the magnetic states, density of states (DOS), and band structure of a 2 × 2 × 1 supercell configuration. While bulk SrFeO3 typically exhibits ferromagnetism at room temperature, our results reveal that the C-type antiferromagnetism is energetically favored within this heterostructure configuration. This stabilization is attributed to charge transfer and structural distortions at the interface. This layered configuration reshapes the magnetic ordering energy, enabling the modulation of magnetic states. These findings provide valuable insights into the magnetic and electrical properties of the heterostructure.