Based on density functional theory calculations and Monte Carlo simulations, we propose UI 3 monolayer as a candidate of f -electron two-dimensional magnet. The UI 3 monolayer has two kinds of crystal structures, which are rectangular and hexagonal, respectively. Our calculations show that both of them have ferromagnetic ground state, and the hexagonal structure is more stable than the rectangular one. Notably, the hexagonal UI 3 monolayer has a 110 K Curie temperature. Furthermore, the large magnetic anisotropy, strong exchange interactions, and heavy spin-orbit couplings enable the hexagonal UI 3 monolayer to be an promising candidate material for future spintronic applications.

中文翻译：

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UI 3：居里温度高的f电子二维磁体

基于密度泛函理论计算和蒙特卡洛模拟，我们提出UI 3单层作为f电子二维磁体的候选者。UI 3单层具有两种晶体结构，分别是矩形和六边形。我们的计算表明，它们都具有铁磁基态，并且六边形结构比矩形结构更稳定。值得注意的是，六角形UI 3单层的居里温度为110K。此外，大的磁各向异性，强大的交换相互作用和沉重的自旋轨道耦合使六角形UI 3单层成为未来自旋电子学应用的有前途的候选材料。