We used the first principle of density functional theory to perform detailed calculations regarding the structure, and the electronic and magnetic properties of MX (M[Formula: see text]=[Formula: see text]Ga, In; X[Formula: see text]=[Formula: see text]S, Se, Te) nanoribbons. The armchair nanoribbons (ARNs) are nonmagnetic semiconductors, which have even or odd oscillations of bandgaps. All small-sized zigzag nanoribbons (ZRNs) were found to break the six-membered ring structure and move to the center, thereby exhibiting nonmagnetic semiconductor behavior owing to the quantum confinement effect. However, among the large ZRNs, which are all metals, MTe ZRNs are nonmagnetic; this differs from the case of graphene, MoS2 and Ti2CO2 nanoribbons. MX (M[Formula: see text]=[Formula: see text]Ga, In; X[Formula: see text]=[Formula: see text]S, Se) ZRNs exhibited ferromagnetism owing to the presence of the unpaired electrons on the metal-edge side and the magnetic moment of each pair of molecules, which was controlled by the size of the nanoribbons. The results provided a theoretical reference that can be used in the future to produce MX materials for application in low-dimensional semiconductor devices, spin electron transport devices and new magnetoresistance devices.

中文翻译：

---

MX (M=GA, IN; X=S, SE, TE) 纳米带的结构、电子和磁性

我们使用密度泛函理论的第一原理对 MX 的结构、电子和磁性特性进行了详细的计算（M[公式：见正文]=[公式：见正文]Ga，In；X[公式：见正文]=[公式：见正文]S、Se、Te) 纳米带。扶手椅纳米带 (ARN) 是非磁性半导体，具有偶数或奇数的带隙振荡。发现所有小尺寸锯齿形纳米带（ZRNs）都会破坏六元环结构并移动到中心，从而由于量子限制效应而表现出非磁性半导体行为。然而，在全金属的大型 ZRN 中，MTe ZRN 是非磁性的。这与石墨烯的情况不同，MoS2和钛2一氧化碳2纳米带。MX (M[Formula: see text]=[Formula: see text]Ga, In; X[Formula: see text]=[Formula: see text]S, Se) ZRNs表现出铁磁性，因为存在不成对电子金属边缘侧和每对分子的磁矩，由纳米带的大小控制。研究结果为未来生产用于低维半导体器件、自旋电子传输器件和新型磁阻器件的MX材料提供了理论参考。