Aguilera-Del-Toro R H, Arruabarrena M, Leonardo A, Ayuela A
Donostia International Physics Center (DIPC) 20018 Donostia Spain
Centro de Física de Materiales - Materials Physics Center (CFM-MPC) 20018 Donostia Spain.
Nanoscale Adv. 2023 Apr 20;5(10):2813-2819. doi: 10.1039/d3na00134b. eCollection 2023 May 16.
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 the earth's 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 and ZnTiO, become ferromagnetic and spin compensated, respectively. Our calculations which include 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.
铁钛矿是一种新型二维材料，最近从钛铁矿矿石中天然存在的钛酸铁剥离而来，钛铁矿矿石在地球表面储量丰富。在这项工作中，我们从理论上研究了二维过渡金属基类钛铁矿钛酸盐的结构、电子和磁性特性。对磁序的研究表明，这些钛铁矿通常在装饰Ti-O层两侧的3d磁性金属之间呈现本征反铁磁耦合。此外，基于晚期3d黄铜金属的钛铁矿，如CuTiO和ZnTiO，分别变为铁磁性和自旋补偿性。我们包含自旋轨道耦合的计算表明，当3d壳层偏离填充或半填充状态时，磁性钛铁矿具有较大的磁晶各向异性能量，对于3d态半填充以下的元素，其自旋取向为面外，而在半填充以上时为面内。钛铁矿这些有趣的磁性特性使其对未来的自旋电子学应用很有用，因为它们可以像在铁的情况中已经实现的那样被合成出来。
