{"title":"磁性 CrI3 中与磁结构有关的超快自旋弛豫:时域 ab Initio 研究。","authors":"Haoran Lu, Run Long","doi":"10.1021/acs.nanolett.4c01809","DOIUrl":null,"url":null,"abstract":"<p><p>Two-dimensional magnet CrI<sub>3</sub> is a promising candidate for spintronic devices. Using nonadiabatic molecular dynamics and noncollinear spin time-dependent density functional theory, we investigated hole spin relaxation in two-dimensional CrI<sub>3</sub> and its dependence on magnetic configurations, impacted by spin-orbit and electron-phonon interactions. Driven by in-plane and out-of-plane iodine motions, the relaxation rates vary, extending from over half a picosecond in ferromagnetic systems to tens of femtoseconds in certain antiferromagnetic states due to significant spin fluctuations, associated with the nonadiabatic spin-flip in tuning to the adiabatic flip. Antiferromagnetic CrI<sub>3</sub> with staggered layer magnetic order notably accelerates adiabatic spin-flip due to enhanced state degeneracy and additional phonon modes. Ferrimagnetic CrI<sub>3</sub> shows a transitional behavior between ferromagnetic and antiferromagnetic types as the magnetic moment changes. These insights into the spin dynamics of CrI<sub>3</sub> underscore its potential for rapid-response spintronic applications and advance our understanding of two-dimensional materials for spintronics.</p>","PeriodicalId":53,"journal":{"name":"Nano Letters","volume":null,"pages":null},"PeriodicalIF":9.6000,"publicationDate":"2024-07-24","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":"{\"title\":\"Magnetic Structure-Dependent Ultrafast Spin Relaxation in Magnet CrI<sub>3</sub>: A Time-Domain ab Initio Study.\",\"authors\":\"Haoran Lu, Run Long\",\"doi\":\"10.1021/acs.nanolett.4c01809\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"<p><p>Two-dimensional magnet CrI<sub>3</sub> is a promising candidate for spintronic devices. Using nonadiabatic molecular dynamics and noncollinear spin time-dependent density functional theory, we investigated hole spin relaxation in two-dimensional CrI<sub>3</sub> and its dependence on magnetic configurations, impacted by spin-orbit and electron-phonon interactions. Driven by in-plane and out-of-plane iodine motions, the relaxation rates vary, extending from over half a picosecond in ferromagnetic systems to tens of femtoseconds in certain antiferromagnetic states due to significant spin fluctuations, associated with the nonadiabatic spin-flip in tuning to the adiabatic flip. Antiferromagnetic CrI<sub>3</sub> with staggered layer magnetic order notably accelerates adiabatic spin-flip due to enhanced state degeneracy and additional phonon modes. Ferrimagnetic CrI<sub>3</sub> shows a transitional behavior between ferromagnetic and antiferromagnetic types as the magnetic moment changes. These insights into the spin dynamics of CrI<sub>3</sub> underscore its potential for rapid-response spintronic applications and advance our understanding of two-dimensional materials for spintronics.</p>\",\"PeriodicalId\":53,\"journal\":{\"name\":\"Nano Letters\",\"volume\":null,\"pages\":null},\"PeriodicalIF\":9.6000,\"publicationDate\":\"2024-07-24\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"\",\"citationCount\":\"0\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"Nano Letters\",\"FirstCategoryId\":\"88\",\"ListUrlMain\":\"https://doi.org/10.1021/acs.nanolett.4c01809\",\"RegionNum\":1,\"RegionCategory\":\"材料科学\",\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"2024/7/11 0:00:00\",\"PubModel\":\"Epub\",\"JCR\":\"Q1\",\"JCRName\":\"CHEMISTRY, MULTIDISCIPLINARY\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"Nano Letters","FirstCategoryId":"88","ListUrlMain":"https://doi.org/10.1021/acs.nanolett.4c01809","RegionNum":1,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"2024/7/11 0:00:00","PubModel":"Epub","JCR":"Q1","JCRName":"CHEMISTRY, MULTIDISCIPLINARY","Score":null,"Total":0}
Magnetic Structure-Dependent Ultrafast Spin Relaxation in Magnet CrI3: A Time-Domain ab Initio Study.
Two-dimensional magnet CrI3 is a promising candidate for spintronic devices. Using nonadiabatic molecular dynamics and noncollinear spin time-dependent density functional theory, we investigated hole spin relaxation in two-dimensional CrI3 and its dependence on magnetic configurations, impacted by spin-orbit and electron-phonon interactions. Driven by in-plane and out-of-plane iodine motions, the relaxation rates vary, extending from over half a picosecond in ferromagnetic systems to tens of femtoseconds in certain antiferromagnetic states due to significant spin fluctuations, associated with the nonadiabatic spin-flip in tuning to the adiabatic flip. Antiferromagnetic CrI3 with staggered layer magnetic order notably accelerates adiabatic spin-flip due to enhanced state degeneracy and additional phonon modes. Ferrimagnetic CrI3 shows a transitional behavior between ferromagnetic and antiferromagnetic types as the magnetic moment changes. These insights into the spin dynamics of CrI3 underscore its potential for rapid-response spintronic applications and advance our understanding of two-dimensional materials for spintronics.
期刊介绍:
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