论文标题
二维Ilmenenes中的磁性：内在顺序和强度强
Magnetism in Two-Dimensional Ilmenenes: Intrinsic Order and Strong Anisotropy
论文作者
论文摘要
铁伊尔曼烯是一种新的二维材料，最近已从伊米特矿石中发现的天然钛酸铁矿石中被剥落，这是一种在地面上丰富的材料。在这项工作中，我们从理论上研究了2D基于金属类的伊利烯样钛酸盐的结构，电子和磁性。对磁性顺序的研究表明，这些iLmenenes通常在装饰Ti-O层的两侧的3D磁力之间存在内在的抗铁磁耦合。此外，基于3D黄铜金属的Ilmenenes，例如Cutio $ _3 $和Zntio $ _3 $，分别成为铁磁和旋转补偿。我们的计算包括自旋轨道耦合，表明磁性iLmenenes具有较大的磁晶各向异性能量，而3D壳不填充或半填充，其旋转方向是在3D状态下半填充3D状态和上方的半填充元素的平面外。 iLmenenes的这些有趣的磁性使其可用于将来的Spintronic应用，因为它们可以合成，如在铁病例中已经实现的。
Iron ilmenene is a new two-dimensional material that has recently been exfoliated from the naturally-occurring iron titanate found in ilmenite ore, a material that is abundant on earth surface. In this work, we theoretically investigate the structural, electronic and magnetic properties of 2D transition-metal-based ilmenene-like titanates. The study of magnetic order reveals that these ilmenenes usually present intrinsic antiferromagnetic coupling between the 3d magnetic metals decorating both sides of the Ti-O layer. Furthermore, the ilmenenes based on late 3d brass metals, such as CuTiO$_3$ and ZnTiO$_3$, become ferromagnetic and spin compensated, respectively. Our calculations including spin-orbit coupling reveal that the magnetic ilmenenes have large magnetocrystalline anisotropy energies when the 3d shell departs from being either filled or half-filled, with their spin orientation being out-of-plane for elements below half-filling of 3d states and in-plane above. These interesting magnetic properties of ilmenenes make them useful for future spintronic applications because they could be synthesized as already realized in the iron case.
