Magnetic phase diagram of rare-earth orthorhombic perovskite oxides

Abstract

Spin reorientation and magnetisation reversal are two important features of the rare-earth orthorhombic provskites ($RM$O${}_3$'s) that have attracted a lot of attention, though their exact microscopic origin has eluded researchers. Here, using density functional theory and classical atomistic spin dynamics we build a general Heisenberg magnetic model that allows to explore the whole phase diagram of the chromite and ferrite compounds and to scrutinize the microscopic mechanism responsible for spin reorientations and magnetisation reversals. We show that the occurrence of a magnetization reversal transition depends on the relative strength and sign of two interactions between rare-earth and transition-metal atoms: superexchange and Dzyaloshinsky-Moriya. We also conclude that the presence of a smooth spin reorientation transition between the so-called ${\Gamma }_4$ and the ${\Gamma }_2$ phases through a coexisting region, and the temperature range in which it occurs, depends on subtle balance of metal--metal (superexchange and Dzyaloshinsky-Moriya) and metal--rare-earth (Dzyaloshinsky-Moriya) couplings. In particular, we show that the intermediate coexistence region occurs because the spin sublattices rotate at different rates.

References in corpus (6)

• Restoring the density-gradient expansion for exchange in solids and surfaces
• Generalized gradient approximation for solids and their surfaces
• TB2J: a python package for computing magnetic interaction parameters
• Ultrafast Structure Switching through Nonlinear Phononics
• Biquadratic and ring exchange interactions in orthorhombic perovskite manganites
• Spontaneous Rotation of Ferrimagnetism Driven by Antiferromagnetic Spin Canting

Cited by in corpus (4)

• First-principles study on phase stability and physical properties of B-site ordered Nd${}_2$FeCrO${}_6$ double perovskite
• Origin of nonlinear magnetoelectric response in rare-earth orthoferrite perovskite oxides
• Simple Realistic Model of Spin Reorientation in 4f-3d Compounds
• Tailoring non-collinear magnetism and 3d $-$ 4f exchange interactions in RVO${}_3$ epitaxial thin films