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Two-Dimensional Iron Silicide (FeSix) Alloys with Above-Room-Temperature Ferromagnetism
Nano Letters ( IF 9.6 ) Pub Date : 2023-03-10 , DOI: 10.1021/acs.nanolett.3c00113
Yijie Niu 1 , Kai Zhang 1, 2 , Xuefeng Cui 2, 3 , Xiaojun Wu 1, 2, 3 , Jinlong Yang 1, 2, 3
Affiliation  

Two-dimensional (2D) materials with intrinsic room-temperature ferromagnetism have gathered tremendous interest as promising candidates for next-generation spintronics. Here, on the basis of first-principles calculations, we report a family of stable 2D iron silicide (FeSix) alloys via dimensional reduction of their bulk counterparts. Our results demonstrate that 2D Fe4Si2-hex, Fe4Si2-orth, Fe3Si2, and FeSi2 nanosheets are lattice-dynamically and thermally stable, confirmed by the calculated phonon spectra and Born–Oppenheimer dynamic simulation up to 1000 K. 2D FeSix nanosheets are ferromagnetic metals with estimated Curie temperatures ranging from 547 to 971 K due to strong direct exchange interaction between Fe sites. In addition, the electronic properties of 2D FeSix alloys can be maintained on silicon substrates, providing an ideal platform for spintronics applications in the nanoscale.

中文翻译:

具有室温以上铁磁性的二维硅化铁 (FeSix) 合金

具有固有室温铁磁性的二维 (2D) 材料作为下一代自旋电子学的有前途的候选者引起了极大的兴趣。在这里,基于第一性原理计算,我们通过大块对应物的降维报告了一系列稳定的二维硅化铁 (FeSi x ) 合金。我们的结果表明,二维 Fe 4 Si 2 -hex、Fe 4 Si 2 -orth、Fe 3 Si 2和 FeSi 2纳米片在晶格动力学和热学上是稳定的,这一点已通过计算的声子光谱和玻恩-奥本海默动力学模拟得到证实1000 K. 二维 FeSi x纳米片是铁磁金属,由于 Fe 位点之间存在强烈的直接交换相互作用,估计居里温度范围为 547 至 971 K。此外,2D FeSi x合金的电子特性可以在硅衬底上保持,为纳米尺度的自旋电子学应用提供了理想的平台。
更新日期:2023-03-10
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