Ferromagnetic (FM) materials with high Curie temperature, large spin polarization ratio and large perpendicular magnetic anisotropic (PMA) are the basis of constructing practical spintronic devices. Using first-principles calculations, electronic property, magnetism and magnetic anisotropic energy (MAE) of penta-MnN₂ monolayer are investigated. The calculated results indicate that penta-MnN₂ monolayer is FM half-metal and exhibits PMA. The PMA is induced by Mn atom of 0.207 meV/atom, which is one or two orders of magnitude larger than those of bulk Co (-65 μeV/atom), Fe (-1.4 μeV/atom) and Ni (2.7 μeV/atom). It is worth noting that the structure, magnetism and MAE of penta-MnN₂ monolayer can be manipulated by applying biaxial strain. By applying tensile strain of 3%, penta-MnN₂ monolayer has a second energy minimum and remains the original crystalline symmetry, but the N−N bond length has a sudden change. The MAE of Mn atom in penta-MnN₂ monolayer can be enhanced by 21% with compressive strain compared to the unstrained systems. Meanwhile, the MAE decreases with the increase of tensile strain, and it exhibits a more significant decrease due to the sudden drop of N–N bond with tensile strain. These results may broaden the development of two-dimensional (2D) FM materials, which have potential applications in 2D spintronic nanodevices.

具有高居里温度，大的自旋极化比和大的垂直磁各向异性（PMA）的铁磁（FM）材料是构造实用自旋电子器件的基础。使用第一性原理计算，研究了五MnN ₂单层的电子性质，磁性和磁各向异性能（MAE）。所计算出的结果表明，戊MNN ₂单层是FM半金属和展品PMA。对PMA由0.207兆电子伏/原子，其数量级比那些散装的Co（-65的较大的一个或两个数量级的锰原子诱导μ电子伏特/原子），铁（-1.4 μ电子伏特/原子）和Ni（2.7 μ eV / atom）。值得注意的是五MnN ₂的结构，磁性和MAE单层可以通过施加双轴应变来操纵。通过施加3％的拉伸应变，五MnN ₂单层具有第二个能量最小值，并保持原始的晶体对称性，但N-N键的长度却突然改变。与未应变的体系相比，在五应变-MnN ₂单层中，Mn原子的MAE可以在压缩应变的作用下提高21％。同时，MAE随着拉伸应变的增加而降低，并且由于N–N键随拉伸应变的突然下降而表现出更显着的降低。这些结果可能会拓宽二维（2D）FM材料的开发，这些材料在2D自旋电子纳米器件中具有潜在的应用。