论文标题
新型二维稀土材料的预测，带有室温铁磁和大的垂直磁各向异性的预测
Prediction of novel two-dimensional rare-earth material with room-temperature ferromagnetism and large perpendicular magnetic anisotropy
论文作者
论文摘要
新型的2D铁磁体具有较高的温度和较大的垂直磁各向异性，由于未来在现代旋转型中的有前途的应用特别有吸引力，但与此同时，很少报道具有较高的咖喱温度和较大的垂直磁各向异性的2D铁磁材料。基于密度功能理论（DFT）计算，我们预测了一种新型的2D铁磁材料-GDB2N2，它具有较大的磁矩，高咖喱温度（335 K）和大型垂直磁性各向异性（10.38 MEV/F.U。）。双轴应变范围为-0.5％至5％，并且使用不同浓度的电荷载体掺杂来揭示对Curie温度和磁各向异性能量（MAE）的影响。此外，发现GDB2N2内的磁耦合过程是通过Ruderman-Kittel-Kasuya-Yosida（Rkky）机制的。总而言之，我们在这里的工作预测了一种新颖的2D稀土材料GDB2N2，它不仅丰富了2D室温的类别的类别，而且还提出了将传统2D材料和稀有材料结合起来的新可能性，以实现更多的吸引力的磁性，最终使下一代的旋转速度和传感器雕刻出来。
Novel 2D ferromagnets with high Curie temperature and large perpendicular magnetic anisotropy are especially attractive owing to the future promising application in modern spintronics, but meanwhile the 2D ferromagnetic materials with high Curie temperature and large perpendicular magnetic anisotropy are rarely reported. Based on density functional theory (DFT) calculations, we predict a new kind of 2D ferromagnetic materials - GdB2N2, which possesses large magnetic moment, high Curie temperature (335 K) and large perpendicular magnetic anisotropy (10.38 meV/f.u.). Biaxial strain ranging from -0.5% to 5% and different concentrations of charge-carrier doping are applied to reveal the influence on the Curie temperature and magnetic anisotropy energy (MAE). Besides, magnetic coupling process within GdB2N2 is found to be via a Ruderman-Kittel-Kasuya-Yosida (RKKY) mechanism. In summary, our work here predicts a novel 2D rare-earth material GdB2N2, which not only enriches the category of 2D room-temperature ferromagnets, but also proposes a new possibility of combining traditional 2D materials and rare-earth materials to achieve more intriguing magnetic properties, finally it carves out the path for the next-generation spintronic devices and sensors.
