Magnetic order and magnetic anisotropy in two-dimensional ilmenenes
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2023-05Autor
Aguilera del Toro, Rodrigo Humberto
Arruabarrena Larrarte, Mikel
Leonardo Liceranzu, Aritz
Ayuela Fernández, Andrés
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Nanoscale Advances 5(10) : 2813-2819 (2023)
Resumen
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 CuTiO3 and ZnTiO3,
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.