Electronic, magnetic, and topological properties of ferromagnetic 2D perovskite-type oxides

Abstract

Two-dimensional (2D) materials within the hematene-type binary oxides and perovskites family have recently gathered huge research interest for nanoelectronic devices. However, the exploration of their fascinating topological properties remains limited. Herein, through first-principles calculations, we systematically examine the electronic, magnetic, and topological properties of substitutionally doped 2D ABO _3 (A = As, Sb, or Bi, and B = V, Nb, or Ta) perovskite structures at the B site of a B _2 O _3 system. Interestingly, the atomic substitution makes the 2D ABO _3 structures dynamically stable. Our detailed calculations show the ferromagnetic (FM) and antiferromagnetic phases of these materials. The calculated Chern number ( C ) for the FM 2D ABO _3 (A = As, Sb, or Bi, B = Nb or Ta) suggests their topologically non-trivial phases. Furthermore, the computed nontrivial Berry curvature highlights the topological properties in AsNbO _3 . These findings highlight opportunities in 2D-ABO _3 materials, for applications in spintronics.

Keywords

• hematene structure
• two-dimensional perovskite-type oxides
• first-principles calculation
• honeycomb lattice
• berry curvature