具有大磁各向异性和高居里温度的二维笼目磁性材料Fe3As

最近，对二维铁磁材料的研究已成为自旋电子器件领域的热点。本文通过自旋极化密度泛函理论计算，设计出一种新型的二维材料Fe₃As,其居里温度(T_c)为300 K,可达到室温。预测的二维Fe₃As具有很强的面内Fe—Fe耦合，其大的磁各向异性能量(MAE)大约为366.7μeV,有助于材料维持长程铁磁序。这种二维Fe₃As的能带同时具有平带和狄拉克点的特征。值得注意的是，平带的位置与磁耦合的强度正相关。此外，在双轴应变的作用下，随着平带和费米面之间的距离不断减小，T_c也在逐渐升高。因此，Fe₃As单层有望成为二维室温自旋电子学器件的一种有前途的候选材料。     

Magnetic Phase Transition in Strained Two-Dimensional CrSeTe Monolayer

Tunable magnetic phase transition in two-dimensional materials is a fascinating subject of research. We perform first-principle calculations based on density functional theory to clarify the magnetic property of CrSeTe monolayer modulated by the biaxial compressive strain. Based on the stable structure confirmed by the phonon calculation, CrSeTe is determined to be a ferromagnetic metal that undergoes a phase transition from a ferromagnetic state to an antiferromagnetic state with nearly 2.75% c...