论文标题
2d半金属材料MNASS $ _4 $中强大的内在铁磁剂
Robust intrinsic ferromagnetism in 2D half-metallic material MnAsS$_4$
论文作者
论文摘要
二维（2D）内在的半金属材料探索纳米级旋转器设备的令人兴奋的物理和应用非常有趣，但是没有实验实现此类材料。使用基于密度功能理论（DFT）的第一原理计算，我们预测单层MNASS $ _4 $是2D固有的铁磁（FM）半米。单层MNASS $ _4 $的半金属旋转间隙约为1.46 eV，在传导带中的旋转分裂约为0.49 eV。蒙特卡洛模拟预测了居里温度（\ emph {t} $ _ c $）约为740 k。此外，在双轴菌株中，范围为-5 \％至5 \％，FM半金属特性保持不变。其在费米水平上具有100 \％自旋偏振比的地面可能是2D Spintronic应用的有前途的候选材料。
Two-dimensional (2D) intrinsic half-metallic materials are of great interest to explore the exciting physics and applications of nanoscale spintronic devices, but no such materials have been experimentally realized. Using first-principles calculations based on density-functional theory (DFT), we predicted that single-layer MnAsS$_4$ was a 2D intrinsic ferromagnetic (FM) half-metal. The half-metallic spin gap for single-layer MnAsS$_4$ is about 1.46 eV, and it has a large spin splitting of about 0.49 eV in the conduction band. Monte Carlo simulations predicted the Curie temperature (\emph{T}$_c$) was about 740 K. Moreover, Within the biaxial strain ranging from -5\% to 5\%, the FM half-metallic properties remain unchanged. Its ground-state with 100\% spin-polarization ratio at Fermi level may be a promising candidate material for 2D spintronic applications.
