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Magnetostructural Transition in Spin Frustrated Halide Double Perovskites
Kunpot Mopoung1, Quanzheng Tao1,2, Fabio Orlandi3
1Department of Physics, Chemistry, and Biology (IFM), Linköping University, SE-58183, Linköping, Sweden.
Geometrical frustration in face-centered-cubic lattices is complex. This study reveals that magnetoelastic coupling strength dictates the magnetic ground state in halide double perovskites, influencing structural transitions and antiferromagnetic ordering.
Area of Science:
- Condensed Matter Physics
- Materials Science
- Magnetism
Background:
- Geometrical frustration in face-centered-cubic (fcc) lattices complicates antiferromagnetic ordering.
- The ground state is highly sensitive to competing magnetic interactions and structural symmetry.
Purpose of the Study:
- Investigate the magnetostructural interplay in Cs2NaFeCl6 and Cs2AgFeCl6 halide double perovskites.
- Determine how magnetoelastic coupling influences magnetic ground states and structural transitions.
Main Methods:
- Neutron diffraction to determine antiferromagnetic structures.
- Polarized Raman spectroscopy and thermal expansion measurements for structural analysis.
- Density functional theory (DFT) calculations for theoretical insights.
Main Results:
- Cs2NaFeCl6 adopts AFM-III order (J1-J2 mechanism) with minimal distortion.
- Cs2AgFeCl6 exhibits AFM-I order with significant tetragonal distortion.
- Anomalous lattice expansion observed at magnetic transitions, stronger in Cs2AgFeCl6.
Conclusions:
- Magnetoelastic coupling strength is the primary determinant of magnetic ground state selection.
- Strong coupling in Cs2AgFeCl6 drives tetragonal distortion, stabilizing AFM-I.
- Weak coupling in Cs2NaFeCl6 leads to minimal distortion, favoring AFM-III via J1-J2 interactions.
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