Screening intrinsic ferroelastic altermagnets in NiAs-type monolayers with anomalous Hall conductivity, magnetoresistance, and elastoresistance

IF 13.1 1区材料科学 Q1 CHEMISTRY, PHYSICAL

npj Computational Materials Pub Date : 2026-08-08 DOI:10.1038/s41524-026-02278-5

Long Zhang, Jianting Dong, Yi Yan, Lixin Zhang, Guangqian Ding, Guangxin Ni, Guoying Gao

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引用次数: 0

Abstract

Coupling multiferroic orders with emerging altermagnetism offers a promising route toward multifunctional quantum devices. Here, we combine symmetry analysis, systematic density functional theory screening, and nonequilibrium Green’s function calculations to investigate 48 NiAs-type (110) monolayers. We identify a class of ferroelastic-altermagnetic biferroics exhibiting intrinsic coupling between lattice strain and spin order. Specifically, metallic FeN and semiconducting MnTe monolayers emerge as representative systems, showing reversible ferroelastic switching with low barriers of 0.08 and 0.22 eV per formula unit and accessible signal intensity. FeN exhibits above-room-temperature (334 K) altermagnetism while MnTe possesses Néel temperature of 122 K. Both monolayers display ferroelastic-reversible momentum-dependent spin splitting (245 and 307 meV). This coupling enables tunable anomalous Hall conductivity and strain-controlled electronic transport. Prototype device-level simulations reveal magnetoresistance (454%), elastoresistance (155%), and high spin-filtering efficiency (-87%). These findings establish NiAs-type monolayers as a versatile platform for intrinsic biferroic coupling, providing a foundation for high-density, energy-efficient spintronic architectures.

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在具有异常霍尔电导率、磁阻和弹性电阻的nias型单层中筛选本征铁弹性交磁体

将多铁序与新兴的电磁耦合为多功能量子器件提供了一条有前途的途径。在这里，我们结合了对称性分析、系统密度泛函理论筛选和非平衡格林函数计算来研究48个nias型（110）单层膜。我们确定了一类具有晶格应变和自旋序本征耦合的铁弹性-交变双分频。具体来说，金属FeN和半导体MnTe单层作为代表性系统出现，表现出可逆的铁弹性开关，具有低势垒，每个公式单位为0.08和0.22 eV，信号强度可达。FeN具有室温以上（334 K）的变磁性，而MnTe具有室温以上（122 K）的变磁性。两种单分子膜都显示出铁弹性可逆的动量依赖自旋分裂（245和307 meV）。这种耦合可以实现可调谐的异常霍尔电导率和应变控制的电子输运。原型器件级仿真显示磁电阻（454%），弹性电阻（155%）和高自旋滤波效率（-87%）。这些发现奠定了nias型单分子层作为一个通用的本态双双态耦合平台，为高密度、高能效的自旋电子结构提供了基础。

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

npj Computational Materials Mathematics-Modeling and Simulation

CiteScore

15.30

自引率

5.20%

发文量

229

审稿时长

6 weeks

期刊介绍： npj Computational Materials is a high-quality open access journal from Nature Research that publishes research papers applying computational approaches for the design of new materials and enhancing our understanding of existing ones. The journal also welcomes papers on new computational techniques and the refinement of current approaches that support these aims, as well as experimental papers that complement computational findings. Some key features of npj Computational Materials include a 2-year impact factor of 12.241 (2021), article downloads of 1,138,590 (2021), and a fast turnaround time of 11 days from submission to the first editorial decision. The journal is indexed in various databases and services, including Chemical Abstracts Service (ACS), Astrophysics Data System (ADS), Current Contents/Physical, Chemical and Earth Sciences, Journal Citation Reports/Science Edition, SCOPUS, EI Compendex, INSPEC, Google Scholar, SCImago, DOAJ, CNKI, and Science Citation Index Expanded (SCIE), among others.