具有狄拉克节线、强光捕获能力、长载流子寿命和导带能谷自旋劈裂的M\textbf{\textit{O}}enes族材料
M\textbf{\textit{O}}enes family materials with Dirac nodal loop, strong light-harvesting ability, long carrier lifetime and conduction-band valley spin splitting
AI总结：
本研究通过第一性原理与高通量计算构建M\textbf{\textit{O}}enes族材料在线数据库，发现14种直接带隙半导体，揭示其可调光电特性、长载流子寿命及导带自旋能谷劈裂等丰富性质。
摘要：
M\textbf{\textit{O}}enes作为新兴的类MXenes材料，同样具有广阔的结构空间和多样的化学与物理性质。基于2种化学计量比、11种早期过渡金属、4种典型官能团和4种氧族元素带来的结构多样性，我们利用第一性原理和高通量计算，从基础概况、力学、声子和电子等方面构建了M\textbf{\textit{O}}enes族材料的在线数据库（网址：https://moenes.online）。与MXenes相比，目前M\textbf{\textit{O}}enes的主要优势在于我们发现了14种直接带隙半导体，这大幅增加了MXenes家族中直接带隙半导体的数量和带隙值范围。其中，1T-Ti$_{2}$\textit{\textbf{O}}F$_{2}$（\textbf{\textit{O}}=O、S、Se）展现出可调的半导体特性和覆盖紫外到近红外区域的强光捕获能力。此外，2H-和1T-Y$_{2}$TeO$_{2}$分别具有2.38 ns和1.24 ns的长载流子寿命，这源于其空间分离的价带顶（VBM）和导带底（CBM）态以及较长的退相时间。另外，2H-Zr$_{2}$O(O)$_{2}$表现出自旋-能谷耦合现象，其导带中的能谷自旋劈裂显著且稳定（约85 meV）。因此，M\textbf{\textit{O}}enes拥有丰富的物理性质，且不限于本文报道的这些，这类新兴M\textbf{\textit{O}}enes的未来研究颇具吸引力。
英文摘要：
M\textbf{\textit{O}}enes, as emerging MXenes-like materials, also have wide structural spaces and various chemical and physical properties. Using first-principles and high-throughput calculations, we have built an online library (\url{https://moenes.online}) for M\textbf{\textit{O}}enes family materials from basic summaries, mechanical, phonon and electron aspects, based on their structural diversities from 2 stoichiometric ratios, 11 early-transition metals, 4 typical functional groups and 4 oxygen group elements. Compared to MXenes, the main advantage of M\textbf{\textit{O}}enes at present is that we have discovered 14 direct semiconductors, which greatly increases the number of direct semiconductors and the range of band gap values in the MXenes family. Among them, 1T-Ti$_{2}$\textit{\textbf{O}}F$_{2}$ (\textbf{\textit{O}}=O, S, Se) reveal tunable semiconducting features and strong light-harvesting ability ranging from the ultraviolet to the near-infrared region. Besides, 2H- and 1T-Y$_{2}$TeO$_{2}$ have a long carrier lifetime of 2.38 and 1.24 ns, originating from their spatially distinguished VBM and CBM states and long dephasing times. In addition, 2H-Zr$_{2}$O(O)$_{2}$ shows spin-valley coupling phenomena, and the valley spin splitting is apparent and robust in its conduction band ($\sim$85 meV). Therefore, M\textbf{\textit{O}}enes have a wealth of physical properties, not limited to those reported here, and future studies of these emerging M\textbf{\textit{O}}enes are appealing.
机构、总结、中文摘要均由AI分析而来，可能存在错误，请以论文正文为准。
