• 文献检索
  • 文档翻译
  • 深度研究
  • 学术资讯
  • Suppr Zotero 插件Zotero 插件
  • 邀请有礼
  • 套餐&价格
  • 历史记录
应用&插件
Suppr Zotero 插件Zotero 插件浏览器插件Mac 客户端Windows 客户端微信小程序
定价
高级版会员购买积分包购买API积分包
服务
文献检索文档翻译深度研究API 文档MCP 服务
关于我们
关于 Suppr公司介绍联系我们用户协议隐私条款
关注我们

Suppr 超能文献

核心技术专利：CN118964589B侵权必究
粤ICP备2023148730 号-1Suppr @ 2026

文献检索

告别复杂PubMed语法，用中文像聊天一样搜索，搜遍4000万医学文献。AI智能推荐，让科研检索更轻松。

立即免费搜索

文件翻译

保留排版，准确专业，支持PDF/Word/PPT等文件格式，支持 12+语言互译。

免费翻译文档

深度研究

AI帮你快速写综述，25分钟生成高质量综述，智能提取关键信息，辅助科研写作。

立即免费体验

溴化锰单层的电子和磁性性质

Electronic and Magnetic Properties of Manganese Bromide Monolayers.

作者信息

de Jesus Guilherme Carlos Carvalho, Vasconcelos Railson da Conceição, do Vale Lucas Bezerra, de Menezes Rafael Ferreira, Sprenger Kayla G, Gargano Ricardo

机构信息

Institute of Physics, University of Brasília, Campus Darcy Ribeiro, Brasília, DF 70910-900, Brazil.

Department of Chemical and Biological Engineering, University of Colorado Boulder, Boulder, Colorado 80309-0401, United States.

出版信息

Langmuir. 2025 Mar 11;41(9):5877-5883. doi: 10.1021/acs.langmuir.4c04499. Epub 2025 Feb 25.

DOI:10.1021/acs.langmuir.4c04499
PMID:39999295
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC11912539/
Abstract

This study investigates the electronic and magnetic properties of monolayer and bulk manganese bromide (MnBr) through simulations based on density functional. We computed the lattice parameters, band structures, and projected density of states, shedding light on the intrinsic magnetic behavior of MnBr. Our analysis of atomic magnetic moments indicates that the incomplete 3d orbital of the manganese atom, containing five electrons, drives the material's intrinsic magnetism. Additionally, our simulations reveal that the antiferromagnetic configuration is energetically more stable than the ferromagnetic configuration. Notable, We find that the MnBr system achieves its lowest energy state when the manganese magnetic moments are aligned perpendicular to the monolayer supercell plane. These findings highlight manganese bromide's potential as a candidate for future applications in nanoelectronics and spintronics.

摘要

本研究通过基于密度泛函的模拟，研究了单层和块状溴化锰（MnBr）的电子和磁性特性。我们计算了晶格参数、能带结构和投影态密度，揭示了MnBr的本征磁行为。我们对原子磁矩的分析表明，含有五个电子的锰原子的不完全3d轨道驱动了材料的本征磁性。此外，我们的模拟表明，反铁磁构型在能量上比铁磁构型更稳定。值得注意的是，我们发现当锰磁矩垂直于单层超晶胞平面排列时，MnBr系统达到其最低能量状态。这些发现突出了溴化锰作为未来纳米电子学和自旋电子学应用候选材料的潜力。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/e506/11912539/061d71793bd1/la4c04499_0011.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/e506/11912539/7f9342698f5e/la4c04499_0001.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/e506/11912539/7d45422eed18/la4c04499_0002.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/e506/11912539/d3f5ef2cba28/la4c04499_0003.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/e506/11912539/8ea8a45138e0/la4c04499_0004.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/e506/11912539/bc2c8b250648/la4c04499_0005.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/e506/11912539/e99aef1fb035/la4c04499_0006.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/e506/11912539/67eb62bc3fc9/la4c04499_0007.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/e506/11912539/67e9c3512dc7/la4c04499_0008.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/e506/11912539/732b563e2b03/la4c04499_0009.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/e506/11912539/ce6009217753/la4c04499_0010.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/e506/11912539/061d71793bd1/la4c04499_0011.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/e506/11912539/7f9342698f5e/la4c04499_0001.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/e506/11912539/7d45422eed18/la4c04499_0002.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/e506/11912539/d3f5ef2cba28/la4c04499_0003.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/e506/11912539/8ea8a45138e0/la4c04499_0004.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/e506/11912539/bc2c8b250648/la4c04499_0005.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/e506/11912539/e99aef1fb035/la4c04499_0006.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/e506/11912539/67eb62bc3fc9/la4c04499_0007.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/e506/11912539/67e9c3512dc7/la4c04499_0008.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/e506/11912539/732b563e2b03/la4c04499_0009.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/e506/11912539/ce6009217753/la4c04499_0010.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/e506/11912539/061d71793bd1/la4c04499_0011.jpg

相似文献

1
Electronic and Magnetic Properties of Manganese Bromide Monolayers.溴化锰单层的电子和磁性性质
Langmuir. 2025 Mar 11;41(9):5877-5883. doi: 10.1021/acs.langmuir.4c04499. Epub 2025 Feb 25.
2
Conversation from antiferromagnetic MnBr to ferromagnetic MnBr monolayer with large MAE.从反铁磁MnBr到具有大磁各向异性的铁磁MnBr单层的转变。
Nanoscale Res Lett. 2021 Apr 29;16(1):72. doi: 10.1186/s11671-021-03523-0.
3
Structural, electronic and magnetic properties of V(2)O(5-x): An ab initio study.V(2)O(5 - x)的结构、电子和磁性性质：一项从头算研究。
J Chem Phys. 2009 Jun 7;130(21):214704. doi: 10.1063/1.3146790.
4
Magnetism in bcc and fcc Fe with carbon and manganese.体心立方和面心立方结构的 Fe 中含碳和锰的磁性。
J Phys Condens Matter. 2010 Aug 11;22(31):316002. doi: 10.1088/0953-8984/22/31/316002. Epub 2010 Jul 8.
5
Correlating Itinerant Magnetism in RCoPn Pnictides (R = La, Ce, Pr, Nd, Eu, Ca; Pn = P, As) to Their Crystal and Electronic Structures.RCoPn 磷化物（R = La、Ce、Pr、Nd、Eu、Ca；Pn = P、As）中巡游磁矩与其晶体和电子结构的关系。
Acc Chem Res. 2018 Feb 20;51(2):230-239. doi: 10.1021/acs.accounts.7b00533. Epub 2018 Jan 5.
6
Manipulating the electronic structure and physical properties in monolayer MoIBr strain and doping.通过应变和掺杂调控单层MoIBr的电子结构和物理性质。
Nanoscale. 2022 Jun 30;14(25):8934-8943. doi: 10.1039/d2nr01002j.
7
Electronic and magnetic properties of GeP monolayer modulated by Ge vacancies and doping with Mn and Fe transition metals.由锗空位以及锰和铁过渡金属掺杂调制的锗磷单层的电学和磁学性质。
RSC Adv. 2025 Jan 13;15(2):1020-1032. doi: 10.1039/d4ra05770h. eCollection 2025 Jan 9.
8
Spin-Orbit Coupling and Spin-Polarized Electronic Structures of Janus Vanadium-Dichalcogenide Monolayers: First-Principles Calculations.Janus 钒二硫属化物单层的自旋轨道耦合与自旋极化电子结构：第一性原理计算
Nanomaterials (Basel). 2022 Jan 24;12(3):382. doi: 10.3390/nano12030382.
9
First-principles investigation of a new 2D magnetic crystal: Ferromagnetic ordering and intrinsic half-metallicity.一种新型二维磁性晶体的第一性原理研究：铁磁有序和本征半金属性
J Chem Phys. 2020 Jun 28;152(24):244704. doi: 10.1063/5.0013393.
10
Room temperature ferromagnetism in Mn-doped silicon carbide from first-principles calculations.第一性原理计算中的 Mn 掺杂碳化硅中的室温铁磁性。
J Phys Condens Matter. 2010 Jun 23;22(24):245801. doi: 10.1088/0953-8984/22/24/245801. Epub 2010 Jun 1.

本文引用的文献

1
Transition Metal Dichalcogenides: Making Atomic-Level Magnetism Tunable with Light at Room Temperature.过渡金属二硫属化物：在室温下用光实现原子级磁性的可调谐性
Adv Sci (Weinh). 2024 Feb;11(7):e2304792. doi: 10.1002/advs.202304792. Epub 2023 Dec 10.
2
Emerging Enhancement and Regulation Strategies for Ferromagnetic 2D Transition Metal Dichalcogenides.铁磁二维过渡金属二硫属化物的新兴增强及调控策略
Adv Sci (Weinh). 2023 Jul;10(21):e2300952. doi: 10.1002/advs.202300952. Epub 2023 May 13.
3
Nanotechnology: A Revolution in Modern Industry.
纳米技术：现代工业的革命。
Molecules. 2023 Jan 9;28(2):661. doi: 10.3390/molecules28020661.
4
2D Transition Metal Dichalcogenides for Photocatalysis.用于光催化的二维过渡金属二硫属化物
Angew Chem Int Ed Engl. 2023 Mar 20;62(13):e202218016. doi: 10.1002/anie.202218016. Epub 2023 Jan 18.
5
Conversation from antiferromagnetic MnBr to ferromagnetic MnBr monolayer with large MAE.从反铁磁MnBr到具有大磁各向异性的铁磁MnBr单层的转变。
Nanoscale Res Lett. 2021 Apr 29;16(1):72. doi: 10.1186/s11671-021-03523-0.
6
Extension of the D3 dispersion coefficient model.D3 弥散系数模型的扩展。
J Chem Phys. 2017 Jul 21;147(3):034112. doi: 10.1063/1.4993215.
7
Room-Temperature Ferromagnetism in Two-Dimensional FeSi Nanosheet with Enhanced Spin-Polarization Ratio.二维 FeSi 纳米片中的室温铁磁性及其增强的自旋极化率。
Nano Lett. 2017 May 10;17(5):2771-2777. doi: 10.1021/acs.nanolett.6b04884. Epub 2017 Apr 27.
8
Measurement of the cleavage energy of graphite.石墨解理能的测量。
Nat Commun. 2015 Aug 28;6:7853. doi: 10.1038/ncomms8853.
9
Observation of Excitonic Rydberg States in Monolayer MoS2 and WS2 by Photoluminescence Excitation Spectroscopy.通过光致发光激发光谱观察单层 MoS2 和 WS2 中的激子里德堡态。
Nano Lett. 2015 May 13;15(5):2992-7. doi: 10.1021/nl504868p. Epub 2015 Apr 3.
10
Ultrafast transient terahertz conductivity of monolayer MoS₂ and WSe₂ grown by chemical vapor deposition.通过化学气相沉积法生长的单层二硫化钼和二硒化钨的超快瞬态太赫兹电导率
ACS Nano. 2014 Nov 25;8(11):11147-53. doi: 10.1021/nn5034746. Epub 2014 Nov 4.