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Strain-tunable phase transition and doping-induced magnetism in iodinene
Applied Physics Letters ( IF 4 ) Pub Date : 2021-09-08 , DOI: 10.1063/5.0063802
Pengyu Liu 1 , Guangbiao Zhang 1 , Yuli Yan 1 , Guanwei Jia 1 , Chang Liu 1 , Bing Wang 1 , Huabing Yin 1
Affiliation  

Two-dimensional (2D) ferromagnetic materials with high Curie temperatures (TC) and tunable physical properties are crucial to the development of nanoscale spintronics devices. Here, we investigate the newly synthesized iodinene using first-principles calculations. Our results show that doping carriers in monolayer and bilayer iodinene can easily introduce itinerant ferromagnetism due to a flatband structure near the Fermi level, and that the associated TC is higher than room temperature. Moreover, we find that a structural phase transition can be achieved through the application of moderate tensile strain for both monolayer and bilayer iodinene. The magnetic moment, Curie temperature, band structure, carrier effective mass, and optical absorption can be changed significantly through this phase transition, and the transition can also lead to a magnetic phase transition with an appropriate doping concentration. Our work provides a feasible approach for designing 2D magnetic materials with potential for application in microelectronics devices.

中文翻译:

碘烯中的应变可调相变和掺杂诱导磁性

具有高居里温度 (T C ) 和可调物理特性的二维 (2D) 铁磁材料对于纳米级自旋电子器件的开发至关重要。在这里,我们使用第一性原理计算研究新合成的碘烯。我们的结果表明,由于费米能级附近的平带结构,单层和双层碘烯中的掺杂载流子很容易引入流动铁磁性,并且相关的 T C高于室温。此外,我们发现可以通过对单层和双层碘烯施加适度的拉伸应变来实现结构相变。通过这种相变可以显着改变磁矩、居里温度、能带结构、载流子有效质量和光吸收,并且这种转变还可以导致具有适当掺杂浓度的磁相变。我们的工作为设计具有在微电子设备中应用潜力的二维磁性材料提供了一种可行的方法。
更新日期:2021-09-10
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