Li/ na掺杂Kagome V3X8 （X = Cl, Br）单分子层的量子反常霍尔态

IF 6.3 2区材料科学 Q2 CHEMISTRY, PHYSICAL

Journal of Alloys and Compounds Pub Date : 2025-02-09 DOI:10.1016/j.jallcom.2025.179103

Huijie Lian , Xiaokang Xu , Jinlian Lu , Xiaojing Yao , Ailei He , Xiuyun Zhang

{"title":"Li/ na掺杂Kagome V3X8 （X = Cl, Br）单分子层的量子反常霍尔态","authors":"Huijie Lian , Xiaokang Xu , Jinlian Lu , Xiaojing Yao , Ailei He , Xiuyun Zhang","doi":"10.1016/j.jallcom.2025.179103","DOIUrl":null,"url":null,"abstract":"<div><div>The quantum anomalous Hall (QAH) insulators have great potential in low-energy electronic devices due to their dissipationless conducting channels. By carrying first-principles calculations, we predict that Li/Na-doped two-dimensional kagome lattice V3X8 (X = Cl, Br) monolayers, V3X8@Li(Na), are intrinsically ferromagnetic (FM) half-semimetals with out-of-plane magnetic anisotropy. Interestingly, the V3X8@Li(Na) monolayers exhibit QAH effect with Chern number of C = 1, and a topological phase transition from C = 1 to C = -1 occurs when rotating the magnetization direction from z axis to -z axis. Moreover, the magnetic and topological properties of V3X8@Li(Na) monolayers can be further modulated by biaxial strains, and FM QAH insulator and antiferromagnetic (AFM) semiconductor transition can be emerged. Our work provides that V3X8@Li(Na) monolayers can serve as materials for exploring novel QAH physics.</div></div>","PeriodicalId":344,"journal":{"name":"Journal of Alloys and Compounds","volume":"1017 ","pages":"Article 179103"},"PeriodicalIF":6.3000,"publicationDate":"2025-02-09","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":"{\"title\":\"Quantum anomalous Hall states in Li/Na-doped kagome V3X8 (X = Cl, Br) monolayers\",\"authors\":\"Huijie Lian , Xiaokang Xu , Jinlian Lu , Xiaojing Yao , Ailei He , Xiuyun Zhang\",\"doi\":\"10.1016/j.jallcom.2025.179103\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"<div><div>The quantum anomalous Hall (QAH) insulators have great potential in low-energy electronic devices due to their dissipationless conducting channels. By carrying first-principles calculations, we predict that Li/Na-doped two-dimensional kagome lattice V3X8 (X = Cl, Br) monolayers, V3X8@Li(Na), are intrinsically ferromagnetic (FM) half-semimetals with out-of-plane magnetic anisotropy. Interestingly, the V3X8@Li(Na) monolayers exhibit QAH effect with Chern number of C = 1, and a topological phase transition from C = 1 to C = -1 occurs when rotating the magnetization direction from z axis to -z axis. Moreover, the magnetic and topological properties of V3X8@Li(Na) monolayers can be further modulated by biaxial strains, and FM QAH insulator and antiferromagnetic (AFM) semiconductor transition can be emerged. Our work provides that V3X8@Li(Na) monolayers can serve as materials for exploring novel QAH physics.</div></div>\",\"PeriodicalId\":344,\"journal\":{\"name\":\"Journal of Alloys and Compounds\",\"volume\":\"1017 \",\"pages\":\"Article 179103\"},\"PeriodicalIF\":6.3000,\"publicationDate\":\"2025-02-09\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"\",\"citationCount\":\"0\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"Journal of Alloys and Compounds\",\"FirstCategoryId\":\"88\",\"ListUrlMain\":\"https://www.sciencedirect.com/science/article/pii/S0925838825006619\",\"RegionNum\":2,\"RegionCategory\":\"材料科学\",\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"\",\"PubModel\":\"\",\"JCR\":\"Q2\",\"JCRName\":\"CHEMISTRY, PHYSICAL\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"Journal of Alloys and Compounds","FirstCategoryId":"88","ListUrlMain":"https://www.sciencedirect.com/science/article/pii/S0925838825006619","RegionNum":2,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q2","JCRName":"CHEMISTRY, PHYSICAL","Score":null,"Total":0}

引用次数: 0

摘要

量子反常霍尔（QAH）绝缘体由于其无耗散的导电通道，在低能电子器件中具有很大的应用潜力。通过第一性原理计算，我们预测Li/Na掺杂的二维kagome晶格V3X8 （X = Cl, Br）单层V3X8@Li（Na）是具有面外磁各向异性的本征铁磁性（FM）半金属。有趣的是，V3X8@Li（Na）单层膜在陈恩数为C = 1时表现出QAH效应，当磁化方向从z轴向-z轴旋转时，发生从C = 1到C = -1的拓扑相变。此外，V3X8@Li（Na）单层的磁性和拓扑性质可以通过双轴应变进一步调制，并可以出现FM QAH绝缘体和反铁磁（AFM）半导体跃迁。我们的工作提供了V3X8@Li（Na）单层可以作为探索新型QAH物理的材料。

本文章由计算机程序翻译，如有差异，请以英文原文为准。

查看原文本刊更多论文

Quantum anomalous Hall states in Li/Na-doped kagome V3X8 (X = Cl, Br) monolayers

The quantum anomalous Hall (QAH) insulators have great potential in low-energy electronic devices due to their dissipationless conducting channels. By carrying first-principles calculations, we predict that Li/Na-doped two-dimensional kagome lattice V₃X₈ (X = Cl, Br) monolayers, V₃X₈@Li(Na), are intrinsically ferromagnetic (FM) half-semimetals with out-of-plane magnetic anisotropy. Interestingly, the V₃X₈@Li(Na) monolayers exhibit QAH effect with Chern number of C = 1, and a topological phase transition from C = 1 to C = -1 occurs when rotating the magnetization direction from z axis to -z axis. Moreover, the magnetic and topological properties of V₃X₈@Li(Na) monolayers can be further modulated by biaxial strains, and FM QAH insulator and antiferromagnetic (AFM) semiconductor transition can be emerged. Our work provides that V₃X₈@Li(Na) monolayers can serve as materials for exploring novel QAH physics.

求助全文

通过发布文献求助，成功后即可免费获取论文全文。去求助

来源期刊

Journal of Alloys and Compounds 工程技术-材料科学：综合

CiteScore

11.10

自引率

14.50%

发文量

5146

审稿时长

67 days

期刊介绍： The Journal of Alloys and Compounds is intended to serve as an international medium for the publication of work on solid materials comprising compounds as well as alloys. Its great strength lies in the diversity of discipline which it encompasses, drawing together results from materials science, solid-state chemistry and physics.