Jindi Feng , Zhihong Lu , Zhenhua Zhang , Rui Xiong , Zhiqiang Fan
{"title":"基于crbr3的范德华磁隧道结的巨隧穿磁阻","authors":"Jindi Feng , Zhihong Lu , Zhenhua Zhang , Rui Xiong , Zhiqiang Fan","doi":"10.1016/j.commatsci.2025.114079","DOIUrl":null,"url":null,"abstract":"<div><div>The recent discovery of two-dimensional (2D) layered intrinsic ferromagnets provides a desirable platform for overcoming technical challenges posed in traditional magnetic tunnel junctions (MTJs) and developing van der Waals (vdW) MTJs based on 2D materials. In this research, based on first-principles calculations associated with non-equilibrium Green’s function, we investigated a class of vdW MTJs based on ferromagnetic CrBr<sub>3</sub> monolayer, namely 1 T-TMX<sub>2</sub>/CrBr<sub>3</sub>/NM spacer/CrBr<sub>3</sub>/1T-TMX<sub>2</sub> vdW MTJs (TM = Mo, W; X = S, Se). Most importantly, we determined that the vdW MTJ (marked as MTJ4) with 1 T-MoSe<sub>2</sub> and 2H-MoS<sub>2</sub> as electrodes and NM spacer respectively, is the most favorable model for achieving excellent spin-filtering (<em>P</em><sub>MTJ</sub> = 99.98 %) and huge TMR ratio (4.07 × 10<sup>5</sup> %). Analyses of real space projected LDOS, layer-dependent DOS, and differential charge densities further revealed that huge TMR effect of MTJ4 comes from the spin-dependent transmission barrier due to half-metallic CrBr<sub>3</sub> induced by charge transfer at 1 T-MoSe<sub>2</sub>/CrBr<sub>3</sub> interface. Moreover, robustness of high-performance spin transport in MTJ4 at small bias voltages was also verified. Our work suggests that 2D CrBr<sub>3</sub> ferromagnet possesses promising prospects in low-dimensional spintronic devices. Our research also paves the way for experimentally designing and manufacturing high-performance 2D vdW MTJs.</div></div>","PeriodicalId":10650,"journal":{"name":"Computational Materials Science","volume":"258 ","pages":"Article 114079"},"PeriodicalIF":3.3000,"publicationDate":"2025-07-09","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":"{\"title\":\"Giant tunneling magnetoresistance in CrBr3-based van der Waals magnetic tunnel junctions\",\"authors\":\"Jindi Feng , Zhihong Lu , Zhenhua Zhang , Rui Xiong , Zhiqiang Fan\",\"doi\":\"10.1016/j.commatsci.2025.114079\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"<div><div>The recent discovery of two-dimensional (2D) layered intrinsic ferromagnets provides a desirable platform for overcoming technical challenges posed in traditional magnetic tunnel junctions (MTJs) and developing van der Waals (vdW) MTJs based on 2D materials. In this research, based on first-principles calculations associated with non-equilibrium Green’s function, we investigated a class of vdW MTJs based on ferromagnetic CrBr<sub>3</sub> monolayer, namely 1 T-TMX<sub>2</sub>/CrBr<sub>3</sub>/NM spacer/CrBr<sub>3</sub>/1T-TMX<sub>2</sub> vdW MTJs (TM = Mo, W; X = S, Se). Most importantly, we determined that the vdW MTJ (marked as MTJ4) with 1 T-MoSe<sub>2</sub> and 2H-MoS<sub>2</sub> as electrodes and NM spacer respectively, is the most favorable model for achieving excellent spin-filtering (<em>P</em><sub>MTJ</sub> = 99.98 %) and huge TMR ratio (4.07 × 10<sup>5</sup> %). Analyses of real space projected LDOS, layer-dependent DOS, and differential charge densities further revealed that huge TMR effect of MTJ4 comes from the spin-dependent transmission barrier due to half-metallic CrBr<sub>3</sub> induced by charge transfer at 1 T-MoSe<sub>2</sub>/CrBr<sub>3</sub> interface. Moreover, robustness of high-performance spin transport in MTJ4 at small bias voltages was also verified. Our work suggests that 2D CrBr<sub>3</sub> ferromagnet possesses promising prospects in low-dimensional spintronic devices. Our research also paves the way for experimentally designing and manufacturing high-performance 2D vdW MTJs.</div></div>\",\"PeriodicalId\":10650,\"journal\":{\"name\":\"Computational Materials Science\",\"volume\":\"258 \",\"pages\":\"Article 114079\"},\"PeriodicalIF\":3.3000,\"publicationDate\":\"2025-07-09\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"\",\"citationCount\":\"0\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"Computational Materials Science\",\"FirstCategoryId\":\"88\",\"ListUrlMain\":\"https://www.sciencedirect.com/science/article/pii/S0927025625004227\",\"RegionNum\":3,\"RegionCategory\":\"材料科学\",\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"\",\"PubModel\":\"\",\"JCR\":\"Q2\",\"JCRName\":\"MATERIALS SCIENCE, MULTIDISCIPLINARY\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"Computational Materials Science","FirstCategoryId":"88","ListUrlMain":"https://www.sciencedirect.com/science/article/pii/S0927025625004227","RegionNum":3,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q2","JCRName":"MATERIALS SCIENCE, MULTIDISCIPLINARY","Score":null,"Total":0}
Giant tunneling magnetoresistance in CrBr3-based van der Waals magnetic tunnel junctions
The recent discovery of two-dimensional (2D) layered intrinsic ferromagnets provides a desirable platform for overcoming technical challenges posed in traditional magnetic tunnel junctions (MTJs) and developing van der Waals (vdW) MTJs based on 2D materials. In this research, based on first-principles calculations associated with non-equilibrium Green’s function, we investigated a class of vdW MTJs based on ferromagnetic CrBr3 monolayer, namely 1 T-TMX2/CrBr3/NM spacer/CrBr3/1T-TMX2 vdW MTJs (TM = Mo, W; X = S, Se). Most importantly, we determined that the vdW MTJ (marked as MTJ4) with 1 T-MoSe2 and 2H-MoS2 as electrodes and NM spacer respectively, is the most favorable model for achieving excellent spin-filtering (PMTJ = 99.98 %) and huge TMR ratio (4.07 × 105 %). Analyses of real space projected LDOS, layer-dependent DOS, and differential charge densities further revealed that huge TMR effect of MTJ4 comes from the spin-dependent transmission barrier due to half-metallic CrBr3 induced by charge transfer at 1 T-MoSe2/CrBr3 interface. Moreover, robustness of high-performance spin transport in MTJ4 at small bias voltages was also verified. Our work suggests that 2D CrBr3 ferromagnet possesses promising prospects in low-dimensional spintronic devices. Our research also paves the way for experimentally designing and manufacturing high-performance 2D vdW MTJs.
期刊介绍:
The goal of Computational Materials Science is to report on results that provide new or unique insights into, or significantly expand our understanding of, the properties of materials or phenomena associated with their design, synthesis, processing, characterization, and utilization. To be relevant to the journal, the results should be applied or applicable to specific material systems that are discussed within the submission.