论文标题
VGE稳定的铁磁性和高居里温度$ _2 $ n $ _4 $
Stable Ferromagnetism and High Curie Temperature in VGe$_2$N$_4$
论文作者
论文摘要
发现单层ma $ _2 $ z $ _4 $（M =过渡金属； A = IVA元素； Z = VA Elements，Science 369，2020，670-674）家族为低维材料中的磁磁性促进和利用磁性领导了另一个进步。但是，仅基于CR和V的MA $ _2 $ N $ _4 $化合物具有内在的磁性，但磁性订购温度不满意。在此，我们通过第一原则计算确定了这个家族的稳定铁磁数，即VGE $ _2 $ z $ _4 $单层。已经发现，磁构型在压缩和拉伸单轴内应应变下均能维持，并且前者可以充当正调节器，以增强磁有序温度（TC）。电子结构的计算揭示了旋转通道中的较大的带隙，而在旋转通道中无带隔离，这是一个令人印象深刻的近一半金属字符，这是Spintronic设备的有利候选者。
The discovery of monolayer MA$_2$Z$_4$ (M = transition metals; A = IVA elements; Z = VA elements, Science 369, 2020, 670-674) family has led another advance for facilitating and harnessing magnetism in low-dimensional materials. However, only Cr and V based MA$_2$N$_4$ compounds exhibit intrinsic magnetism yet with unsatisfied magnetic ordering temperature. Herein, we identify a stable ferromagnetic number of this family, i.e., VGe$_2$Z$_4$ monolayer, by means of first-principles calculations. It is found that the magnetic configuration sustains under both compression and tensile uniaxial in-plane strain, and the former can act as a positive modulator to enhance magnetic ordering temperature (Tc). Electronic structure calculations reveal a large band gap in the spin down channel while band-gapless in the spin up channel, an impressive near-half-metallic character, which is a favorable candidate for spintronic device.
