English

Interplay of Ferromagnetic and Antiferromagnetic Interactions in Epitaxial Co$_3$ZnN

Materials Science 2025-12-10 v2

Abstract

Antiperovskite nitrides with the general formula M3_3N have attracted significant attention due to their tunable electronic and magnetic properties. Among them are many cobalt-based compounds predicted to exhibit high thermodynamic stability and intriguing magnetic behavior. Here, we report the synthesis and magnetic characterization of epitaxial Co3_3ZnN thin films grown by radio frequency sputtering on SrTiO3_3 (STO) and MgO substrates. X-ray diffraction confirms phase-pure (00l)-oriented films with cube-on-cube epitaxy on STO, with a c-lattice parameter of 3.752 angstroms. Magnetic measurements reveal clear hysteresis at 2 K with a coercive field of ~ 0.12 T and a small net moment of 0.11 μB{\mu}_B/f.u., suggesting either a canted antiferromagnetic (AFM) or ferrimagnetic (FiM) configuration. Temperature-dependent magnetization measurements show a transition near 25 K, with strong AFM interactions (Curie-Weiss Θ\Theta = -80.6 K) at high temperatures and short-range ferromagnetic correlations (Θ\Theta = +9.7 K) emerging near the transition. Complementary density functional theory (DFT) and Monte Carlo simulations indicate a ferromagnetic (FM) ground state, with the FM-AFM energy difference decreasing systematically with increasing supercell size, consistent with competition between FM and AFM/FiM interactions. These results highlight Co3_3ZnN as a magnetically complex antiperovskite nitride with competing exchange interactions.

Keywords

Cite

@article{arxiv.2512.06516,
  title  = {Interplay of Ferromagnetic and Antiferromagnetic Interactions in Epitaxial Co$_3$ZnN},
  author = {Sita Dugu and Sharad Mahatara and Corlyn E Regier and James R Neilson and Stephan Lany and Rebecca W. Smaha and Sage R Bauers},
  journal= {arXiv preprint arXiv:2512.06516},
  year   = {2025}
}