当前位置: X-MOL 学术Solid State Sci. › 论文详情
Our official English website, www.x-mol.net, welcomes your feedback! (Note: you will need to create a separate account there.)
Biaxial strain tuned magnetic anisotropy of ferromagnetic penta-MnN2 monolayer
Solid State Sciences ( IF 3.4 ) Pub Date : 2021-05-10 , DOI: 10.1016/j.solidstatesciences.2021.106634
Chunyan Xu , Jing Zhang , Haoran Tu , Zexuan Guo , Xiaoxi Yuan , Yu Tian

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.



中文翻译:

铁磁五元素MnN 2单层的双轴应变调谐磁各向异性

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。

更新日期:2021-05-11
down
wechat
bug