Magnetization reversal in TmCr1-xCoxO3 perovskite solid solutions studied by Monte Carlo simulations
Manuel E Vivas Arellano1, Elena Rufeil Fiori2,3, Juan M De Paoli1
1INFIQC (CONICET-UNC), Departamento de Fisicoquímica, Facultad de Ciencias Químicas, Universidad Nacional de Córdoba, Haya de la Torre Esq. Medina Allende, Ciudad Universitaria, X5000HUA Córdoba, Argentina.
The Journal of Chemical Physics
|December 2, 2025
Summary
Magnetization reversal in TmCr1-xCoxO3 perovskites was studied using magnetic measurements and Monte Carlo simulations. Simulations accurately reproduced experimental data, revealing insights into magnetic interactions and the impact of cobalt substitution.
Area of Science:
- Materials Science
- Condensed Matter Physics
- Solid-State Chemistry
Background:
- Perovskite oxides exhibit complex magnetic behaviors.
- Understanding magnetization reversal is crucial for magnetic materials applications.
- Rare-earth and transition metal ion substitutions influence magnetic properties.
Purpose of the Study:
- To investigate the magnetization reversal (MR) phenomenon in TmCr1-xCoxO3 perovskite solid solutions.
- To explore the effect of substituting magnetic Cr3+ with non-magnetic Co3+ ions.
- To model and simulate field-cooling (FC) magnetization curves.
Main Methods:
- Synthesis and structural characterization of TmCr1-xCoxO3 samples (0.1 ≤ x ≤ 0.8).
- Magnetic measurements using a field-cooling (FC) protocol.
- Monte Carlo (MC) simulations based on a classical Heisenberg spin Hamiltonian.
Main Results:
- MC simulations successfully reproduced MR phenomenon and FC curves for most compositions.
- Discrepancies observed at x = 0.6 attributed to percolation threshold effects or Cr3+ spin reorientation.
- Antiferromagnetic superexchange interactions between Cr3+ ions increase with Co3+ content.
Conclusions:
- MC simulations are effective in modeling MR in rare-earth/transition metal perovskites.
- Cobalt substitution significantly impacts magnetic interactions and reversal mechanisms.
- Compositional tuning offers a route to control magnetic properties in these materials.
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