The magnetic properties, flat and Dirac bands of two-dimensional room-temperature ferromagnetic Kagome material Mn3Sn3Se2

IF 2.9 3区物理与天体物理 Q3 NANOSCIENCE & NANOTECHNOLOGY

Physica E-low-dimensional Systems & Nanostructures Pub Date : 2024-08-06 DOI:10.1016/j.physe.2024.116062

Tingyu Sun , Guibo Zheng , Zhenzhen Wan , Xianjuan He , Yating Li , Wenzhe Zhou , Fangping Ouyang

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引用次数: 0

Abstract

The Kagome lattice is rich in unique electronic and magnetic properties, such as flat band, superconductivity, charge density waves, and so on. In this paper, the magnetic properties, flat and Dirac bands of monolayer Mn₃Sn₃Se₂ with Kagome lattice are investigated based on first-principles calculations. A total of four magnetic configurations are considered, and the intrinsic ground state of Mn₃Sn₃Se₂ is identified as the ferromagnetic state. Strain has a significant effect on its magnetic ground state, which changes to an in-plane AFM state when the tensile strain exceeds 5 %. Monolayer Mn₃Sn₃Se₂ has an out-of-plane magnetic anisotropy of up to 0.777 meV, and the Curie temperature is 528 K. The band structure of the FM state is shown to be metallic, and spin polarized flat and Dirac bands appear near the Fermi level, which are degenerate. Monolayer Mn₃Sn₃Se₂ changes to half-metallic when a strain of 1%–2% is applied. Strain and correlation effects can significantly alter the flatness of flat band and the relative energy with Dirac bands. These results not only enrich the family of two-dimensional ferromagnets, but also provide a reference for studying the regulation of flat and Dirac bands.

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二维室温铁磁性卡戈米材料 Mn3Sn3Se2 的磁性能、平坦带和狄拉克带

Kagome 晶格富含独特的电子和磁性能，如平带、超导性、电荷密度波等。本文基于第一性原理计算，研究了具有 Kagome 晶格的单层 MnSnSe 的磁性能、平带和狄拉克带。共考虑了四种磁性构型，并确定 MnSnSe 的本征基态为铁磁态。应变对其磁基态有显著影响，当拉伸应变超过 5% 时，磁基态会转变为平面内的原子力显微态。单层 MnSnSe 的面外磁各向异性高达 0.777 meV，居里温度为 528 K。铁磁态的带结构显示为金属带，自旋极化平带和狄拉克带出现在费米级附近，它们是退化的。当施加 1%-2% 的应变时，单层 MnSnSe 变为半金属态。应变和相关效应会显著改变平坦带的平坦度以及与狄拉克带的相对能量。这些结果不仅丰富了二维铁磁体家族，而且为研究平带和狄拉克带的调控提供了参考。

本文章由计算机程序翻译，如有差异，请以英文原文为准。

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来源期刊

Physica E-low-dimensional Systems & Nanostructures 物理-纳米科技

CiteScore

7.30

自引率

6.10%

发文量

356

审稿时长

65 days

期刊介绍： Physica E: Low-dimensional systems and nanostructures contains papers and invited review articles on the fundamental and applied aspects of physics in low-dimensional electron systems, in semiconductor heterostructures, oxide interfaces, quantum wells and superlattices, quantum wires and dots, novel quantum states of matter such as topological insulators, and Weyl semimetals. Both theoretical and experimental contributions are invited. Topics suitable for publication in this journal include spin related phenomena, optical and transport properties, many-body effects, integer and fractional quantum Hall effects, quantum spin Hall effect, single electron effects and devices, Majorana fermions, and other novel phenomena. Keywords: • topological insulators/superconductors, majorana fermions, Wyel semimetals; • quantum and neuromorphic computing/quantum information physics and devices based on low dimensional systems; • layered superconductivity, low dimensional systems with superconducting proximity effect; • 2D materials such as transition metal dichalcogenides; • oxide heterostructures including ZnO, SrTiO3 etc; • carbon nanostructures (graphene, carbon nanotubes, diamond NV center, etc.) • quantum wells and superlattices; • quantum Hall effect, quantum spin Hall effect, quantum anomalous Hall effect; • optical- and phonons-related phenomena; • magnetic-semiconductor structures; • charge/spin-, magnon-, skyrmion-, Cooper pair- and majorana fermion- transport and tunneling; • ultra-fast nonlinear optical phenomena; • novel devices and applications (such as high performance sensor, solar cell, etc); • novel growth and fabrication techniques for nanostructures