{"title":"过渡金属掺杂GaSb纳米片:高居里温度和自旋电子应用","authors":"Narmin Ismayilova , Afsun Abiyev","doi":"10.1016/j.cocom.2025.e01119","DOIUrl":null,"url":null,"abstract":"<div><div>Using density functional theory, the magnetic and electrical characteristics of two-dimensional GaSb nanosheets doped with transition metals (Cr, Mn, Fe, Co, V, and Cu) were methodically investigated. The most stable magnetic states were found by optimizing a variety of ferromagnetic and antiferromagnetic designs. Although the pristine GaSb nanosheet has a wide bandgap of 1.78 eV and is not magnetic, transition metal doping causes structural distortions and localized magnetic moments. Interestingly, Cr-, Fe-, and Mn-doped GaSb nanosheets show half-metallic ferromagnetism and full spin polarization, which makes them interesting for spintronic applications. For Fe-, Cr- and Mn doped systems, the Curie temperature (TC), which is calculated using the mean-field approximation from the energy difference between ferromagnetic and disordered local moment configurations, is much higher than room temperature (RT). The potential of TM-doped GaSb nanosheets in upcoming low-dimensional spintronic and nanoelectronic devices is highlighted by these results.</div></div>","PeriodicalId":46322,"journal":{"name":"Computational Condensed Matter","volume":"45 ","pages":"Article e01119"},"PeriodicalIF":3.9000,"publicationDate":"2025-09-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":"{\"title\":\"Transition metal-doped GaSb nanosheets: High curie temperature and spintronic applications\",\"authors\":\"Narmin Ismayilova , Afsun Abiyev\",\"doi\":\"10.1016/j.cocom.2025.e01119\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"<div><div>Using density functional theory, the magnetic and electrical characteristics of two-dimensional GaSb nanosheets doped with transition metals (Cr, Mn, Fe, Co, V, and Cu) were methodically investigated. The most stable magnetic states were found by optimizing a variety of ferromagnetic and antiferromagnetic designs. Although the pristine GaSb nanosheet has a wide bandgap of 1.78 eV and is not magnetic, transition metal doping causes structural distortions and localized magnetic moments. Interestingly, Cr-, Fe-, and Mn-doped GaSb nanosheets show half-metallic ferromagnetism and full spin polarization, which makes them interesting for spintronic applications. For Fe-, Cr- and Mn doped systems, the Curie temperature (TC), which is calculated using the mean-field approximation from the energy difference between ferromagnetic and disordered local moment configurations, is much higher than room temperature (RT). The potential of TM-doped GaSb nanosheets in upcoming low-dimensional spintronic and nanoelectronic devices is highlighted by these results.</div></div>\",\"PeriodicalId\":46322,\"journal\":{\"name\":\"Computational Condensed Matter\",\"volume\":\"45 \",\"pages\":\"Article e01119\"},\"PeriodicalIF\":3.9000,\"publicationDate\":\"2025-09-01\",\"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/S2352214325001194\",\"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/S2352214325001194","RegionNum":0,"RegionCategory":null,"ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q3","JCRName":"PHYSICS, CONDENSED MATTER","Score":null,"Total":0}
Transition metal-doped GaSb nanosheets: High curie temperature and spintronic applications
Using density functional theory, the magnetic and electrical characteristics of two-dimensional GaSb nanosheets doped with transition metals (Cr, Mn, Fe, Co, V, and Cu) were methodically investigated. The most stable magnetic states were found by optimizing a variety of ferromagnetic and antiferromagnetic designs. Although the pristine GaSb nanosheet has a wide bandgap of 1.78 eV and is not magnetic, transition metal doping causes structural distortions and localized magnetic moments. Interestingly, Cr-, Fe-, and Mn-doped GaSb nanosheets show half-metallic ferromagnetism and full spin polarization, which makes them interesting for spintronic applications. For Fe-, Cr- and Mn doped systems, the Curie temperature (TC), which is calculated using the mean-field approximation from the energy difference between ferromagnetic and disordered local moment configurations, is much higher than room temperature (RT). The potential of TM-doped GaSb nanosheets in upcoming low-dimensional spintronic and nanoelectronic devices is highlighted by these results.