Magnetostructural behavior in the non-centrosymmetric compound Nd₇Pd₃

Area of Science:

• Condensed Matter Physics
• Materials Science
• Magnetism

Background:

• Neodymium-Palladium compounds are of interest for their magnetic properties.
• Understanding magnetic ordering transitions is crucial for developing new magnetic materials.

Purpose of the Study:

• To systematically investigate the physical properties and microscopic magnetism of the Nd7Pd3 compound.
• To characterize the magnetic ordering transitions and their effect on crystal structure.

Main Methods:

• Experimental measurements of physical properties and magnetic behavior.
• Crystallographic analysis to determine structural changes.
• Density functional theory (DFT) calculations for ground state confirmation.

Main Results:

• Nd7Pd3 crystallizes in a hexagonal Th7Fe3-type structure (P63mc) at room temperature.
• Observed magnetic ordering transitions: antiferromagnetic at 37 K (TN) and ferromagnetic at 33 K (TC).
• The ferromagnetic transition at TC is first-order and magnetoelastic, inducing a crystal symmetry change to Cmc21.
• DFT calculations confirm the experimentally observed ground state with the a-axis as the easy magnetization direction.

Conclusions:

• Nd7Pd3 exhibits complex magnetic behavior with distinct antiferromagnetic and ferromagnetic phases.
• The ferromagnetic transition is coupled with a structural phase transition, highlighting magnetoelastic coupling.
• The study provides insights into the magnetic anisotropy and ground state properties of Nd7Pd3.