论文标题
氮化物MXENES中的表面氧气抑制驱动的大型霍尔电导率（AHC）：AHC可以成为确定2D Ferro（I）磁体中官能团的工具吗？
Surface-oxygen-passivation driven large anomalous Hall conductivity (AHC) in nitride MXenes: Can AHC be a tool to determine functional groups in 2D ferro(i)magnets?
论文作者
论文摘要
识别MXENES中特定官能团的存在是一个困难的主题，它使研究人员很长一段时间困扰。我们在本文中表明，在磁MXENES的情况下，材料的磁传输特性提供了简单的解决方案。 MXENES提供的令人着迷的特性之一是实现了内在的铁磁性，这对于二维（2D）材料家族很重要。先前的报告仅对某些MXENES发表了一些陈述，因为它对Spintronics相关的应用程序有用。在这里，使用第一原则计算，我们检查了MXENES家族中的实际磁通现象。我们已经考虑了3 \ textit {d}过渡金属（$ ti，v，cr $和$ mn $）和基于氮化氮化物的所有可能组合，而基于氮化物的功能化$（o_2，f_2 $和$（oh）_2 $）mxenes，$ m_2nt_2 $。固有的异常大厅效应以$ CR $和$ MN $的MXENES进行了研究，因为这些化合物具有基态稳定的铁磁解决方案。我们证明，固有的异常霍尔电导率（AHC）可用于识别MXENES中的官能团。 此外，这些铁磁MXENES的半金属特征使它们成为了各种应用的潜在候选者，例如在逻辑和记忆设备中，量子计算，Spintronics等。交叉和较大的状态密度。当考虑所有研究的系统时，AHC可以在$ e_f \ pm $ 0.25 $ ev $之内高于2500 $ s/cm $。我们的发现不仅可以通过考虑AHC作为确定2D Ferro（i）磁体中官能团的简单工具来指导实验者，而且它在设计具有可忽略不计的流浪场的内存设备方面也可能有用。
Identifying the existence of specific functional groups in MXenes is a difficult topic that has perplexed researchers for a long time. We show in this paper that in the case of magnetic MXenes, the magneto-transport properties of the material provide an easy solution. One of the fascinating properties that MXenes offer is the realization of intrinsic ferromagnetism which is important for two-dimensional (2D) materials family. The previous reports have only made a few statements on some MXenes citing its usefulness for spintronics related applications. Here, using first-principle calculations we have examined the actual magneto-transport phenomena in MXenes family. We have considered all possible combinations of 3\textit{d} transition metals ($Ti, V, Cr$ and $Mn$) and nitride based functionalized $(O_2, F_2$ and $(OH)_2$) MXenes, $M_2NT_2$. The intrinsic anomalous Hall effect is investigated in $Cr$ and $Mn$ based MXenes as the compounds possess ground state stable ferromagnetic solutions. We demonstrate that intrinsic Anomalous Hall conductivity (AHC) can be used to identify the functional groups in MXenes. Additionally, half-metallic features of these ferromagnetic MXenes make them potential candidates for varieties of applications such as in logic and memory devices, quantum computations, spintronics etc. The maximum anomalous Hall conductivity (AHC) at Fermi energy, $E_F$, is found in case of $Mn_2NO_2$ (470 $S/cm$) which is attributed to the presence of avoided band crossing and larger density of states. Together, when considered all the studied systems, the AHC can be above 2500 $S/cm$ within $E_F \pm $ 0.25 $eV$. Our findings could be useful not only in guiding the experimentalists by considering AHC as a simple tool in determining the functional groups in 2D ferro(i)magnets, also, it could be useful in designing memory device with negligible stray fields.
